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Ethyl isobutyrylacetate

Ethyl isobutyrylacetate structure

CAS No:
7152-15-0
Formula:
C8H14O3
Chemical Name:
Ethyl isobutyrylacetate
Synonyms:
Pentanoic acid,4-methyl-3-oxo-,ethyl ester;Valeric acid,4-methyl-3-oxo-,ethyl ester;γ,γ-Dimethylacetoacetic acid ethyl ester;Ethyl isobutyrylacetate;Ethyl 4-methyl-3-oxopentanoate;Ethyl 3-oxo-4-methylvalerate;4-Methyl-3-oxo-pentanoic acid ethyl ester;Ethyl 3-oxo-4-methylpentanoate;4-Methyl-3-oxovaleric acid ethyl ester;NSC 62029;Ethyl 4-methyl-3-oxovalerate;Isobutyrylacetic acid ethyl ester;Ethyl 2-isobutyrylacetate;Ethyl 3-isopropyl-3-oxopropanoate;3-Oxo-4-methylpentanoic acid ethyl ester
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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Description

clear colorless to yellow liquid

Ethyl isobutyrylacetate Basic Attributes

Molecular Weight：

158.19

Exact Mass：

158.20

BRN：

636726

EC Number：

230-491-9

UNII：

M3WMK56MNB

NSC Number：

62029

DSSTox ID：

DTXSID00221758

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

1.3

Appearance：

Clear colorless to light yellow Liquid

Density：

0.9854 g/cm³ @ Temp: 25 °C

Melting Point：

-9 °C

Boiling Point：

173 °C

Flash Point：

128 °F

Refractive Index：

1.420

Water Solubility：

soluble in chloroform and methanol.

Storage Conditions：

Flammables area

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:158.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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