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Home> Hot Product Listed R   > Rotenone


CAS No.:83-79-4
Molecular Weight:394.42
Molecular Formula:C23H22O6 (Products with the same molecular formula)
MOL File:83-79-4.mol
Names and Identifiers

(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one tubatoxinRotenone

Canonical Smiles
Isomers Smiles
white or off-white powder
Melting Point
Boiling Point
210-220℃ (0.5 mmHg)
Refractive Index
Flash Point
-115 º (C=1.4 IN CHLOROFORM)
Sol in alcohol, acetone, carbon tetrachloride, chloroform, ether
Sol in acetic acid, acetone; sl sol in ethanol
Water solubility = 0.2 mg/l at 20 deg C
Soluble in ether, alcohol, acetone, and other organic solvents
White crystals
Colorless to red, crystalline solid.
Stable, but light and air sensitive. Combustible. Incompatible with oxidizing agents, especially in the presence of alkalies.
Storage temp
Store at RT
Spectral properties
MAX ABSORPTION (ALCOHOL): 237 NM (LOG E= 4.15), 293.5 NM (LOG E= 4.25), 330.5 NM (LOG E= 3.80); SADTLER REFERENCE NUMBER: 373 (IR, PRISM)
Specific optical rotation: -228 deg at 20 deg C/D (concn by vol= 2.22 g in 100 ml benzene)
Specific optical rotation: -225.2 deg at 29.5 deg C/D (benzene)
Intense mass spectral peaks: 192 m/z (100%), 191 m/z (31%), 394 m/z (20%), 177 m/z (18%)
IR: 21008 (Sadtler Research Laboratories IR Grating Collection)
UV: 149 (Sadtler Research Laboratories Spectral Collection)
NMR: 16340 (Sadtler Research Laboratories Spectral Collection)
MASS: 5060 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Strongly levorotatory in solution; specific rotation for D line 230 deg in benzene, 62 deg in ethylene dichloride.
Safety and Handling
Hazard Codes
T; N
Risk Statements
Safety Statements

Hazard Codes of Rotenone (CAS NO.83-79-4): ToxicT,DangerousN
Risk Statements: 25-36/37/38-50/53 
R25: Toxic if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 22-24/25-36-45-60-61 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S36: Wear suitable protective clothing. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S60: This material and its container must be disposed of as hazardous waste. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: DJ2800000
HazardClass: 6.1(b)
PackingGroup: III
Human poison by ingestion. Experimental poison by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. A skin and eye irritant. Acute poisoning causes numbness, nausea, vomiting, and tremors. Questionable carcinogen with experimental neoplastigenic, tumorigenic, and teratogenic data. Chronic exposure injures liver and kidneys. It is toxic to animals and very toxic to fish, but leaves no harmful residue on vegetable crops. When heated to decomposition it emits acrid smoke and irritating fumes. Used as an insecticide and as a fish poison.


Skin, Eye, and Respiratory Irritations
Direct contact may cause irritation of the skin or conjunctiva.
Cleanup Methods
1. Ventilate area of spill. 2. For small quantities, sweep onto paper or other suitable material, place in an appropriate container and burn in a safe place (such as a fume hood). Large quantities can be reclaimed; however, if this is not practical, dissolve in a flammable solvent (such as alc) and atomize in a suitable combustion chamber.
UN 2811
Fire Potential
Flammable if preheated.
Prentox Prenfish toxicant (5% rotenone); Prentox Synpren-Fish toxicant (2.5% rotenone and 2.5% piperonyl butoxide technical); Prentox, Rotenone Powder and Resins. Chem-Fish Synergized is 2.5% rotenone and 2.5% piperonyl butoxide; Chem-Fish Regular is 5%; Rotenone Resin (Blue Spruce) 45%; Rotenone Powder (Blue Spruce) at 5 to 7.5% pure. Rotenone Soln FK-11 (piperonyl butoxide 2.5% and rotenone 1.5%) (Fairfield American).
Formulations incl dusts of 0.75 to 1.5% concn, emulsifiable concentrates of 2 to 3% concn, wettable powder of 5% concn, soln of up to 5% concn, and resins of 30% concn intended for manufacture.
Grades: CP crystals; technical; also as extracts of derris and cube root.
Formulations include dusts of 0.75-5% concentration, crystalline preparations of 97% purity, and emulsified solution of up to 50% and resins of 42-45% concentration intended for manufacture.
... Noxfire (5% rotenone) tank mixed with Roussel Bio Corp piperonyl butoxide EC92% for insects which have become resistant to pyrethroid-based insecticides. Nusyn-Noxfish (2.5% rotenone/2.5% piperonyl butoxide technical). Foliafume E.C. (pyrethrins) ... PB-Nox (4.3% rotenone/8.6% piperonyl butoxide).
Dust, emulsifiable concentrate, wettable powder
Reactivities and Incompatibilities
Strong oxidizers, alkalis.
Other Preventative Measures
Wear appropriate clothing to prevent repeated or prolonged skin contact. Wear eye protection to prevent any reasonable probability of eye contact. Employees should wash promptly when skin is wet or contaminated. Work clothing should be changed daily if it is possible that clothing is contaminated. Remove nonimpervious clothing promptly if wet or contaminated.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
Protective Equipment and Clothing
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Recommendations for respirator selection. Max concn for use: 50 mg/cu m. Respirator Class(es): Any chemical cartridge respirator with organic vapor cartridge(s) in combination with a dust, mist, and fume filter. Any supplied-air respirator.
Recommendations for respirator selection. Max concn for use: 125 mg/cu m. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. Any powered, air-purifying respirator with organic vapor cartridge(s) in combination with a dust, mist, and fume filter.
Recommendations for respirator selection. Max concn for use: 250 mg/cu m. Respirator Class(es): Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s) in combination with a high-efficiency particulate filter. Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having a high-efficiency particulate filter. Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s) in combination with a high-efficiency particulate filter. Any supplied-air respirator that has a tight-fitting facepiece and is operated in a continuous-flow mode. Any self-contained breathing apparatus with a full facepiece. Any supplied-air respirator with a full facepiece.
Recommendations for respirator selection. Max concn for use: 2500 mg/cu m. Respirator Class(es): Any supplied-air respirator operated in a pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode. Any supplied-air respirator with a full facepiece and operated in pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having a high-efficiency particulate filter. Any appropriate escape-type, self-contained breathing apparatus.
Wear rubber gloves for all handling ... Wear canister-type mask /if combustion occurs/. ... Self-contained breathing apparatus, rubber gloves, hats, suits, and boots must be worn /if extinguishing/.

white or off-white powder
Safety Statements:22-24/25-36-45-60-61
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60:This material and/or its container must be disposed of as hazardous waste
61:Avoid release to the environment. Refer to special instructions safety data sheet
Octanol/Water Partition Coefficient
Log P = 4.10
Disposal Methods
1. By making packages of rotenone in paper or other flammable material and burning in a suitable combustion chamber. 2. By dissolving rotenone in a flammable solvent (such as alcohol) and atomizing in a suitable combustion chamber.
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 83-79-4 EC: 201-501-9 Rotenone ·ECHA C&L Inventory for CAS: CAS: 83-79-4 EC: 201-501-9 Rotenone

Download/Modify | Technical supported by For US version, EU version (23 languages) and more, please refer to


According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017


1.1 GHS Product identifier

Product name rotenone

1.2 Other means of identification

Product number -
Other names Rotenone,(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Insecticide
Uses advised against no data available

1.4 Supplier's details


1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H301 Toxic if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.


P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P391 Collect spillage.


P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
rotenone rotenone 83-79-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Artificial respiration may be needed.

In case of skin contact

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give a slurry of activated charcoal in water to drink. Rest. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin, respiratory system; numb mucous membrane; nausea, vomiting, abdominal pain; muscle tremor, incoordination, clonic convulsions, stupor Target Organs: Eyes, skin, respiratory system, central nervous system (NIOSH, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Rotenone and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Sweep spilled substance into covered air-tight containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Personal protection: P3 filter respirator for toxic particles. Do NOT let this chemical enter the environment.

6.3 Methods and materials for containment and cleaning up

1. Ventilate area of spill. 2. For small quantities, sweep onto paper or other suitable material, place in an appropriate container and burn in a safe place (such as a fume hood). Large quantities can be reclaimed; however, if this is not practical, dissolve in a flammable solvent (such as alc) and atomize in a suitable combustion chamber.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from food and feedstuffs. Well closed.Store only in original containers, in a dry place inaccessible to children and pets. /7.4% Rotenone Wettable Powder/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 5 mg/cu m.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state white or off-white powder
Colour Orthorhombic, six-sided plates from trichloroethylene
Odour Odorless
Melting point/ freezing point 159-164\u00baC
Boiling point or initial boiling point and boiling range 210-220\u00baC (0.5 mmHg)
Flammability Combustible SolidCombustible.
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 20\u00b0C
Partition coefficient n-octanol/water (log value) log Kow = 4.10
Vapour pressure less than 0.0075 mm Hg at 20\u00b0C
Density and/or relative density 1.27(20\u00baC)
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Decomp upon exposure to light and air. Colorless solutions in organic solvents oxidize upon exposure and become yellow, orange and then deep red and may deposit crystals of dehydrorotenone and rotenonone which are toxic to insects.

10.3 Possibility of hazardous reactions

Flammable if preheated.ROTENONE is readily oxidized in the presence of alkalis. It is incompatible with oxidizers. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers, alkalis.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rabbit oral 1500 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available


Cancer Classification: Group E Evidence of Non-carcinogenicity for Humans

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill) weight 1-1.5 g; Conditions: freshwater, static, 12\u00b0C, pH 8.0, hardness 300 mg/L CaCO3, alkalinity 225-245 mg/L CaCO3, dissolved oxygen >60%; Concentration: 138 ug/L for 24 hr (95% confidence interval: 125-152 ug/L) /5% purity emulsifiable concentrate
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea) age <24 hr; Conditions: freshwater, static; Concentration: 27.5 ug/L for 24 hr (95% confidence interval: 23.9-31.6 ug/L); Effect: intoxication, immobilization /formulation
  • Toxicity to algae: EC50; Species: Scenedesmus subspicatus (Green Algae); Conditions: freshwater, static; Concentration: 240000 ug/L for 49-79 min; Effect: decreased population photosynthesis /100% purity
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In southern Italy, two types of soil samples spiked with rotenone, a silt clay loam and a loamy soil, underwent degradation experiments in dark conditions at 10-20\u00b0C. The results indicated that half-life values for rotenone were 8 days in the silt clay loam soil and 5 days in the loamy soil at 20\u00b0C. At 10\u00b0C however, the half-lives were 25 days for silt clay loam soil and 21 for the loamy soil(1). Rotenone is listed as one of the organic substances which may be degraded during aerobic and anaerobic sewage treatment if adequate acclimatization can be achieved; much depends on the concentration to be treated and possibly on the temperature during treatment(2).

12.3 Bioaccumulative potential

A study showed that when yearling bluegills (Lepomis macrochirus) were exposed to 5.2 ug/L of rotenone for 30 days in a continuous flow system, bioconcentration factors for the head, viscera, and carcass were 165, 3,500, and 125, respectively(4). According to a classification scheme(3), bioconcentation factors of 100-100 are high and >1000 are very high(SRC).

12.4 Mobility in soil

The Koc of rotenone is estimated as approximately 3,200(SRC), using a measured log Kow of 4.10(1) and a regression-derived equation(2). According to a recommended classification scheme(3), this estimated Koc value suggests that rotenone is expected to have slight mobility in soil(SRC). The Kd values of rotenone were determined in 2 different soil types from Southern Italy. In the adsorption experiment Kd values were 0.56 and 2.73 L/kg for silt clay loam and loamy soil respectively, and the degradation rates were 0.102 and 0.074 d-1 for soils at 20\u00b0C(4).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods


The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name


14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable


14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
rotenone rotenone 83-79-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 13, 2017
Revision Date Aug 13, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%


  • IPCS - The International Chemical Safety Cards (ICSC), website:
  • HSDB - Hazardous Substances Data Bank, website:
  • IARC - International Agency for Research on Cancer, website:
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website:
  • CAMEO Chemicals, website:
  • ChemIDplus, website:
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website:
  • Germany GESTIS-database on hazard substance, website:
  • ECHA - European Chemicals Agency, website:

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:394.41718 [g/mol]
Molecular Formula:C23H22O6
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:394.141638
MonoIsotopic Mass:394.141638
Topological Polar Surface Area:63.2
Heavy Atom Count:29
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Ring Count:5
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.8
CID Conformer Count:4