520-45-6 structure, C8H8O4
Dehydroacetic acid
CAS No.: 520-45-6 Formula: C8H8O4 Molecular Weight: 168.14700
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Dehydroacetic acid

CAS No.:

520-45-6

Formula:

C8H8O4

Molecular Weight: 168.14700
Suppliers: All (152) China Suppliers (89) Price Available (30) Contractor (11)

Description

Dehydroacetic acid is an organic compound. The compound is classified as a pyrone derivative and is used mostly as a fungicide and bactericide. The sodium salt, sodium dehydroacetate, is often used in place of dehydroacetic acid because of its greater solubility in water. It is prepared by the base-catalysed dimerization of diketene.

Numbering system

MDL number MFCD00066709
EINECS number 208-293-9

Properties

Appearance & Physical State

white powder

Density

1.264g/cm3

Boiling Point

270ºC

Melting Point

109-112ºC

Flash Point

150.6ºC

Refractive Index

1.4379 (20ºC)

Stability

Stable. Incompatible with oxidizing agents, bases, reducing agents.

Storage Condition

0-6ºC

Vapor Pressure

0.000144mmHg at 25°C

Safety Info

RTECS

UP8050000

Hazard Class

4.1

Safety Statements

S22

HS Code

29322980

Packing Group

II; III

WGK Germany

1

Risk Statements

R22

Hazard Codes

Xn

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Dehydroacetic acid

1.2 Other means of identification

Product number -
Other names DEHYDRACETSAEURE

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 MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
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 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

Storage

none

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
Dehydroacetic acid Dehydroacetic acid 520-45-6 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

WATER OR FOAM MAY CAUSE FROTHING.

5.2 Specific hazards arising from the chemical

no data available

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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 powder
Colour NEEDLES FROM WATER, RHOMBIC NEEDLES OR PRISMS FROM ALCOHOL
Odour ODORLESS
Melting point/ freezing point 299°C(lit.)
Boiling point or initial boiling point and boiling range 82°C/15mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 61°C(lit.)
Auto-ignition temperature 366 DEG C (690 DEG F)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility (WT/WT) 22% IN ACETONE, 18% IN BENZENE, 5% IN METHANOL, 3% IN USP ETHANOL, 3% IN CARBON TETRACHLORIDE, 5% IN ETHER, 0.7% IN N-HEPTANE, LESS THAN 0.1% IN GLYCEROL, 1.6% IN OLIVE OIL, 1.7% IN PROPYLENE GLYCOL, LESS THAN 0.1% IN WATER AT 25 DEG C
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.000144mmHg at 25°C
Density and/or relative density 1.264g/cm3
Relative vapour density 5.8 (AIR= 1)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

MODERATELY VOLATILE IN STEAM

10.3 Possibility of hazardous reactions

SLIGHT

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

HIGHLY REACTIVE

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1,000 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

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

A biodegradation study on dehydroacetic acid, based on BOD measurements, using an activated sludge seed, and an initial chemical concentration of 100 mg/l indicated 84% biodegradation after 2 weeks(1). Dehydroacetic acid was observed to degrade in six aerobic biodegradation tests (coupled units test, Zahn-Wellens test, MITI test, Sturm CO2 evolution test, OECD screening test, and closed bottle test)(2). 99% DOC removal was observed in the coupled units test using a sewage seed; 96% DOC removal was observed after 6 days using an activated sludge seed in the Zahn-Wellens test; 91% DOC removal was observed after 14 days incubation using an activated sludge seed in the MITI test; 100% DOC removal was observed after 28 days incubation using a sewage seed in the Sturm test; 98% DOC removal was observed after 19 days incubation using a sewage seed in the OECD screening test; and 81% BODT was observed after 28 days using a sewage seed in the closed bottle test(2).

12.3 Bioaccumulative potential

An estimated BCF value of 15 was calculated for dehydroacetic acid(SRC), using a measured water solubility of 690 mg/l(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

The Koc of dehydroacetic acid is estimated as approximately 120(SRC), using a measured water solubility of 690 mg/l(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that dehydroacetic acid is expected to have high mobility in soil(SRC).

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: UN2671 IMDG: UN2671 IATA: UN2671

14.2 UN Proper Shipping Name

ADR/RID: AMINOPYRIDINES (o-, m-, p,)
IMDG: AMINOPYRIDINES (o-, m-, p,)
IATA: AMINOPYRIDINES (o-, m-, p,)

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
Dehydroacetic acid Dehydroacetic acid 520-45-6 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 12, 2017
Revision Date Aug 12, 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.

MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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520-45-6 NMR spectrum
More
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 500 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 1330 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intraperitoneal LD50 - Lethal dose, 50 percent kill Rodent - mouse 1186 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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