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Home> Hot Product Listed S   > Sorbic acid

Sorbic acid

CAS No.:110-44-1
EINECS(EC#):203-768-7
Molecular Weight:112.13
Molecular Formula:C6H8O2 (Products with the same molecular formula)
MOL File:110-44-1.mol
Properties
Appearance
White crystalline powder
Density
1.205
Melting Point
132-135℃
Boiling Point
228℃
Vapour
0.02mmHg at 25°C
Flash Point
127℃
Water
1.6 g/L (20℃)
Solubilities
1.6 g/L (20 oC) in water
Color/Form
Colorless needles or white powder
NEEDLES FROM WATER
NEEDLES FORM DILUTE ALCOHOL
CRYSTALLINE
White crystals or powder
Stability
Stability Material saturated with this acid may ignite spontaneously. Incompatible with strong oxidizing agents. May be light sensitive.
HS Code
29161930
Storage temp
2-8°C
Spectral properties
SADTLER REFERENCE NUMBER: 3674 (IR, PRISM); 8305 (IR, GRATING)
MAX ABSORPTION (CHLOROFORM): 260 NM (E= 2400)
IR: 6494 (Coblentz Society Spectral Collection)
UV: 2-70 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 462 (Varian Associates NMR Spectra Catalogue)
MASS: 2-78 (Archives of Mass Spectral Data, John Wiley & Sons, New York)
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R36/38
Safety Statements
S24/25
Safety

Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. Experimental reproductive effects. A severe human and experimental skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:? Xi
The Risk Statements information of?Sorbic acid :
36/37/38:? Irritating to eyes, respiratory system and skin?
36/38:? Irritating to eyes and skin?
The Safety Statements information of?Sorbic acid :
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
24/25:? Avoid contact with skin and eyes?
WGK Germany:1

Skin, Eye, and Respiratory Irritations
APPLICATION OF 150 MG TO SKIN FOR 1 HR IN MAN PRODUCED SEVERE IRRITATION.
Fire Fighting Procedures
WATER
Fire Potential
PAPER, CLOTH & OTHER ABSORBENT MATERIALS SOAKED WITH SORBATES MAY IGNITE SPONTANEOUSLY SO THAT THESE SUBSTANCES SHOULD BE KEPT AWAY FROM CELLULOSIC MATERIALS. /SORBATES/
COMBUSTIBLE WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS
Formulations/Preparations
GRADES: FCC; TECHNICAL
Exposure Standards and Regulations
Sorbic acid used as a chemical preservative in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice.
Protective Equipment and Clothing
APPLICATION OF 150 MG TO SKIN FOR 1 HR IN MAN PRODUCED SEVERE IRRITATION.
Specification

??Sorbic acid ,?its cas register number is 110-44-1. It also can be called?(E,E)-2,4-Hexadienoic acid ; 1,3-Pentadiene-1-carboxylic acid, (E,E)- ; 2,4-Hexadienoic acid, (E,E)- ; 2-Propenylacrylic acid ; 2E,4E-Hexadienoic acid ; Acetic acid, (2-butenylidene)- ; Acetic acid, crotylidene- ; EPA Pesticide Chemical Code 075901 ; Hexadienoic acid ; Kyselina 1,3-pentadien-1-karboxylova?; Kyselina sorbova ; Panosorb ; Sorbistat ; alpha-trans-gamma-trans-Sorbic acid ; trans,trans-Sorbic acid ; trans-trans-2,4-Hexadienoic acid .?Sorbic acid (CAS NO.110-44-1) is a white powder or crystals.

Octanol/Water Partition Coefficient
Log Kow = 1.33
Report

Reported in EPA TSCA Inventory.

Disposal Methods
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
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Celanese Production Germany GmbH & Co. KG 2017
more >
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name (2E,4E)-hexa-2,4-dienoic acid

1.2 Other means of identification

Product number -
Other names Sorbistat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Preservatives and Antioxidants
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
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

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

Response

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

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

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.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
(2E,4E)-hexa-2,4-dienoic acid (2E,4E)-hexa-2,4-dienoic acid 110-44-1 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.

In case of skin contact

Remove contaminated clothes. 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 one or two glasses of water to drink. Rest. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: This compound may cause severe irritation. High concentrations are extremely destructive to tissues of the mucous membranes and upper respiratory tract, skin and eyes. The greatest danger from ingestion of large quantities of this compound (2 g/kg) is intestinal obstruction. Aspiration or inhalation could cause chemical pneumonitis. Implantation will cause a foreign body reaction. A case of contact sensitivity has been reported. ACUTE/CHRONIC HAZARDS: This compound is a severe irritant. It is harmful if swallowed or inhaled. High concentrations are extremely destructive to tissues of the mucous membranes and upper respiratory tract, skin and eyes. When heated to decomposition, this compound may emit toxic fumes of carbon monoxide and carbon dioxide. It may produce aldehydes. It may also emit acrid smoke and irritating fumes.

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

/SRP:/ 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 if 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. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is 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 containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. Personal protection: P2 filter respirator for harmful particles.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

Well closed.Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature 2 - 8\u00b0C. Storage class (TRGS 510): Non Combustible Solids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 crystalline powder
Colour Colorless needles or white powder
Odour Relatively odorless
Melting point/ freezing point 188\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 228\u00b0C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 127\u00b0C
Auto-ignition temperature no data available
Decomposition temperature 228\u00b0C
pH no data available
Kinematic viscosity no data available
Solubility In water:1.6 g/L (20 \u00baC)
Partition coefficient n-octanol/water (log value) log Kow = 1.33
Vapour pressure 0.01 mm Hg ( 20 \u00b0C)
Density and/or relative density 1.205
Relative vapour density 3.87 (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Combustible when exposed to heat or flame.Dust explosion possible if in powder or granular form, mixed with air.SORBIC ACID may discolor on exposure to light. Can react with oxidizing agents. Also incompatible with bases and reducing agents. The dust may become explosive, particularly when mixed with free-radical initiators or oxidizing agents .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Bases, oxidizing agents, reducing agents.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (male) oral >2000 mg/kg bw
  • 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

Carcinogenicity

no data available

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: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Sorbic acid is readily degradable in soil(1). Sorbic acid also shows high degradability, 95% within 6 days, in the Zahn-Wellens test(1). 100% degradation of sorbic acid was observed after 3 days incubation in seawater taken from Akashi Beach, Japan and river water taken from the Mino River, Japan, using an initial sorbic acid concentration of 60 ppm(2). Sorbic acid, present at 100 mg/L, reached 83% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test which classified the compound as readily biodegradable(3). Sorbic acid was observed to biodegrade in soil suspensions(4). Sorbic acid (at 2 mg/L) was found to be readily biodegradable in an aerobic BOD test using domestic activated sludge with a 7-day theoretical BOD of 65.5% and a 28-day theoretical BOD of 74.9%(4).

12.3 Bioaccumulative potential

An estimated BCF value of 3 was calculated in fish for sorbic acid(SRC), using a log Kow of 1.33(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of sorbic acid can be estimated to be 9(SRC). According to a classification scheme(2), this estimated Koc value suggests that sorbic acid is expected to have very high mobility in soil. A Koc of less than 1 was estimated for sorbic using an HPLC method(3). The pKa of sorbic acid is 4.76(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
(2E,4E)-hexa-2,4-dienoic acid (2E,4E)-hexa-2,4-dienoic acid 110-44-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory 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 Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 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%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

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:112.12652 [g/mol]
Molecular Formula:C6H8O2
XLogP3:1.3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:112.05243
MonoIsotopic Mass:112.05243
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Formal Charge:0
Complexity:123
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:2
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:4