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Propyl acetoacetate

Propyl acetoacetate structure

CAS No:
1779-60-8
Formula:
C7H12O3
Chemical Name:
Propyl acetoacetate
Synonyms:
Butanoic acid,3-oxo-,propyl ester;Acetoacetic acid,propyl ester;Propyl acetoacetate;Propyl 3-oxobutanoate;NSC 42862;n-Propyl acetoacetate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Propyl acetoacetate Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.17

EC Number：

217-223-6

NSC Number：

42862

DSSTox ID：

DTXSID60170394

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

0.91870

Density：

0.9959 g/cm³ @ Temp: 25 °C

Melting Point：

158-160 °C @ Solvent: Diethyl ether

Boiling Point：

78 °C @ Press: 11 Torr

Flash Point：

73.2ºC

Refractive Index：

1.415

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:144.17
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1779-60-8

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