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Butyl acetoacetate

Butyl acetoacetate structure

CAS No:
591-60-6
Formula:
C8H14O3
Chemical Name:
Butyl acetoacetate
Synonyms:
Butanoic acid,3-oxo-,butyl ester;Acetoacetic acid,butyl ester;Butyl acetoacetate;Butyl 3-oxobutanoate;Butyl 3-oxobutyrate;n-Butyl acetoacetate;3-Oxobutanoic acid butyl ester;NSC 97211
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colorless liquid. Insoluble in water; solu- ble in alcohol and ether. Combustible.

Liquid|colourless liquid; fruity taste; sweet, brandy-like odour of fermented fruit

Butyl acetoacetate is an oxo carboxylic acid.

Butyl acetoacetate Basic Attributes

Molecular Weight：

158.19

Exact Mass：

158.20

EC Number：

209-722-2

UNII：

2W08J7H74O

NSC Number：

97211

DSSTox ID：

DTXSID3060453

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

1.30880

Appearance：

Liquid

Density：

0.9761 g/cm³ @ Temp: 25 °C

Melting Point：

-35.6 °C

Boiling Point：

90 °C @ Press: 11 Torr

Flash Point：

85 °C

Refractive Index：

1.421

Water Solubility：

insoluble in water; soluble in alcohol and oil

Storage Conditions：

Store at 0°C

Toxicity：

Oral-Rat LD50: 11260 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide gas

Safety Information

wgk germany：

RTECS Number：

AK5100000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Toxicity

Toxicity class：

practically nontoxic

Butyl acetoacetate Use and Manufacturing

Methods of Manufacturing

It is obtained by heating butyl acetate and sodium butyrate (or potassium). It can also be synthesized from ethyl acetoacetate and n-butanol. Or synthesized by diketene and butanol in the presence of acetic acid and pyridine.

Uses

Spices for food.

Solvents (for cleaning and degreasing)

Cleaning and furnishing care products

Manufacturing Info：

Soap, cleaning compound, and toilet preparation manufacturing|Butanoic acid, 3-oxo-, butyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.19
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butyl acetate

1-Butanol

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Guide of Butyl acetoacetate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Butyl acetoacetate

SDS

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