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Home> Hot Product Listed E   > Ethyl acetoacetate

Ethyl acetoacetate

Iupac Name:ethyl 3-oxobutanoate
CAS No.:141-97-9
EINECS(EC#):205-516-1
Molecular Weight:130.14
Molecular Formula:C6H10O3 (Products with the same molecular formula)
MOL File:141-97-9.mol
Properties
Appearance
Colourless liquid
Density
1.021
Melting Point
-45℃
Boiling Point
180℃
Vapour
0.0164mmHg at 25°C
Refractive Index
1.418-1.42
Flash Point
70℃
Water
116 g/L (20℃)
Solubilities
116 g/L (20 °C)
Color/Form
COLORLESS LIQUID
Stability
Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible.
Storage temp
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Spectral properties
MAX ABSORPTION (ALCOHOL): 248 NM (LOG E= 3.2); INDEX OF REFRACTION: 1.4194 AT 20 DEG C/D; SADTLER REFERENCE NUMBER: 101 (IR, PRISM)
MASS: 265 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
IR: 14440 (Sadtler Research Laboratories Prism Collection)
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R36
Safety Statements
S24/25
HazardClass
3.2
Safety

Safety Information of Ethyl acetoacetate (CAS NO.141-97-9):
Hazard Codes:?IrritantXi
Risk Statements: 36
R36: Irritating to eyes.
Safety Statements: 26-24/25?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1993
WGK Germany: 1
RTECS: AK5250000
HazardClass: 3.2
PackingGroup: III
Moderately toxic by ingestion. A skin and eye irritant. Combustible liquid when exposed to heat or flame; can react with oxidizing materials. Explosive reaction when heated with Zn + tribromoneopentyl alcohol or 2,2,2-tris(bromomethyl)ethanol. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

PackingGroup
III
Skin, Eye, and Respiratory Irritations
IRRITANT TO EYES.
Transport
UN 1993
Fire Fighting Procedures
USE ALCOHOL FOAM, CARBON DIOXIDE, DRY CHEMICAL.
Fire Potential
MODERATE WHEN EXPOSED TO HEAT OR FLAME.
Formulations/Preparations
GRADES: TECHNICAL; 98%.
Exposure Standards and Regulations
FDA 121.1164.
FDA 172.515. FLAVOR USEFUL IN STRAWBERRY, FRUIT FLAVORS.
Protective Equipment and Clothing
IRRITANT TO EYES.
Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Combustible liquid.
Extinguishing Media: Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Octanol/Water Partition Coefficient
log Kow = 0.25
Report

Reported in EPA TSCA Inventory.

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 100PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
Beckmann-Kenko GmbH 2017
Eastman Chemical B.V. 2013
Envigo Research Limited 201 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 Ethyl acetoacetate

1.2 Other means of identification

Product number -
Other names Ethyl 3-oxobutanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

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
Ethyl acetoacetate Ethyl acetoacetate 141-97-9 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.

4.2 Most important symptoms/effects, acute and delayed

Liquid may cause mild irritation of eyes. (USCG, 1999)

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

USE ALCOHOL FOAM, CARBON DIOXIDE, DRY CHEMICAL.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)

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

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. 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

Separated from strong oxidants. Ventilation along the floor. Well closed.

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 Colourless liquid
Colour COLORLESS LIQUID
Odour PLEASANT GREEN, FRUITY, RUM ODOR
Melting point/ freezing point 285\u00b0C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 184\u00b0C
Flammability Combustible.
Lower and upper explosion limit / flammability limit FLAMMABLE LIMITS (BY VOL) 1.4% AT 200 DEG F (93 DEG C) & 9.5% AT 350 DEG F (176 DEG C).
Flash point 75\u00b0C(lit.)
Auto-ignition temperature 295\u00b0C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:116 g/L (20 \u00baC)
Partition coefficient n-octanol/water (log value) log Kow = 0.25
Vapour pressure 1 mm Hg ( 28.5 \u00b0C)
Density and/or relative density 1.021
Relative vapour density 4.48 (vs 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

MODERATE WHEN EXPOSED TO HEAT OR FLAME.The vapour is heavier than air.ETHYL ACETOACETATE, a beta-keto ester, is more reactive than many esters. Undergoes an exothermic cleavage reaction in the presence of concentrated base. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Mixing with 2,2,2-tris(bromomethyl)ethanol and zinc led to an explosion [US Patent 3 578 619, Crotonaldehyde may rapidly polymerize with ethyl acetoacetate (Soriano, D.S. et al. 1988. Journal of Chemical Education 65:637.).1971].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: UN2735 IMDG: UN2735 IATA: UN2735

14.2 UN Proper Shipping Name

ADR/RID: AMINES, LIQUID, CORROSIVE,\nN.O.S. or POLYAMINES, LIQUID, CORROSIVE, N.O.S.
IMDG: AMINES, LIQUID, CORROSIVE,\nN.O.S. or POLYAMINES, LIQUID, CORROSIVE, N.O.S.
IATA: AMINES, LIQUID, CORROSIVE,\nN.O.S. or POLYAMINES, LIQUID, CORROSIVE, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
Ethyl acetoacetate Ethyl acetoacetate 141-97-9 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:130.1418 [g/mol]
Molecular Formula:C6H10O3
XLogP3:0.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:5
Exact Mass:130.062994
MonoIsotopic Mass:130.062994
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Formal Charge:0
Complexity:118
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:70