acetylacetone
CAS No.: 123-54-6 Formula: C5H8O2 Molecular Weight: 100.11600
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acetylacetone

CAS No.: 123-54-6 Formula: C5H8O2 Molecular Weight: 100.11600
Suppliers: All (92) China Suppliers (92) Price Available (16) Contractor (10)

Description

Acetylacetone is an organic compound that exists in two tautomeric forms that interconvert rapidly and are treated as a single compound in most applications. Although the compound is formally named as the diketone form, pentane-2,4-dione, the enol form forms a substantial component of the material and is actually the favored form in many solvents. It is a colourless liquid that is a precursor to acetylacetonate (acac), a common bidentate ligand. It is also a building block for the synthesis of heterocyclic compounds.

Properties

Appearance & Physical State colorless or yellow colored liquid
Density 0.975
Boiling Point 133-140ºC
Melting Point -23ºC
Flash Point 35.5ºC
Refractive Index 1.451-1.453
Water Solubility 16 g/100 mL (20 ºC)
Stability Stable under normal temperatures and pressures.
Storage Condition 2-8ºC
Vapor Density 3.5 (vs air)
Vapor Pressure 6 mm Hg ( 20 °C)

Safety Info

RTECS SA1925000
Hazard Class 3
Safety Statements S21-S23-S24/25
HS Code 2914190090
WGK Germany 1
Packing Group III
RIDADR UN 2310
Risk Statements R10; R22
Hazard Codes Xn
Symbol GHS02, GHS06
Hazard Declaration H226; H302; H311; H331
Caution Statement P261; P280; P311
Signal Word Danger
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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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name acetylacetone

1.2 Other means of identification

Product number -
Other names Acetylaeetone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI,Paint additives and coating additives not described by other categories,Solvents (which become part of product formulation or mixture)
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

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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

P330 Rinse mouth.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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
acetylacetone acetylacetone 123-54-6 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

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

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. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation causes dizziness, headache, nausea, vomiting and loss of consciousness. Contact with liquid irritates eyes. (USCG, 1999)

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

FIRST AID: Inhalation--Fresh air, rest. Artificial respiration if indicated. Refer for medical attention. Skin--Remove contaminated clothes. Rinse and then wash skin with water and soap. Eyes--First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. Ingestion--Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire, use alcohol foam, carbon dioxide, or dry chemical.

5.2 Specific hazards arising from the chemical

Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back. (USCG, 1999)

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

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Ventilation. Collect leaking liquid in sealable containers. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water. Do NOT let this chemical enter the environment (extra personal protection: filter respirator for organic gases and vapors).

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

Fireproof. Separated from strong oxidants. Keep in the dark.Fireproof. Separated from strong oxidants. Keep in the dark.

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 colorless or yellow colored liquid
Colour Colorless or slightly yellow liquid
Odour Pleasant odor
Melting point/ freezing point -23°C(lit.)
Boiling point or initial boiling point and boiling range 140.4°C(lit.)
Flammability Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit in air: 2.4%; Upper flammable limit in air: 11.6%
Flash point 38°C
Auto-ignition temperature 350°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.6 mPa.s at 20°C
Solubility In water:16 g/100 mL (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.40
Vapour pressure 6 mm Hg ( 20 °C)
Density and/or relative density 0.975g/mLat 25°C(lit.)
Relative vapour density 3.5 (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

Flammable liquid when exposed to heat or flame.The vapour is heavier than air.Ketones, such as PENTANE-2,4-DIONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. May dissolve plastics (USCG, 1999).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible with oxidizing materials.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (male) oral 760 mg/kg
  • Inhalation: LC50 Rat inhalation 1224 ppm/4 hr (5.1 mg/L/4 hr)
  • Dermal: LD50 Rabbit percutaneous 810 mg/kg

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: LC50 Pimephales promelas (fathead minnow) 200 mg/L/24 hr /Conditions of bioassay not specified in source examined
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (water flea) 75 mg/L/48 hr; Effect: mortality or immobility; closed static bioassay, total hardness (CaCO3) 240 mg/L, pH 8.0 + or - 0.3, aerated (before use), carbon-filtered well water, 23°C, 16 hr photoperiod ... /Reagent grade
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a screening study using settled sewage seed at 20°C, 5.6, 40.0, 62.8, and 69.6 % of theoretical B.O.D. was determined after 5, 10, 15, and 20 incubation days, respectively(1).

12.3 Bioaccumulative potential

An estimated BCF of 3.2 was calculated in fish for acetyl acetone(SRC), using a log Kow of 0.40(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of acetyl acetone is estimated as 39(SRC), using a log Kow of 0.40(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that acetyl acetone is expected to have very high mobility in soil.

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: UN2310 IMDG: UN2310 IATA: UN2310

14.2 UN Proper Shipping Name

ADR/RID: PENTANE-2,4-DIONE
IMDG: PENTANE-2,4-DIONE
IATA: PENTANE-2,4-DIONE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

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
acetylacetone acetylacetone 123-54-6 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 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.
MSDS Expand
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

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C5 H8 O2 0.05 ml : 0.5 ml CDCl3
2,4-pentanedione

Assign. Shift(ppm)
A 5.524
C 3.612
D 2.236
E 2.044

IR : liquid filmExpand
Raman : 4880 A,200 M,liquidExpand
ESR : COPPER(II) COMPLEX, IN CHCL3, RTExpand

GC Analysis

Total 32 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary DB-5 130. 786.6 isothermal
Capillary DB-5 150. 787.25 isothermal
Capillary DB-5 170. 763.43 isothermal
Capillary DB-5 190. 791. isothermal
Packed SE-30 150. 775. isothermal
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