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Ethyl 3-oxopentanoate

Ethyl 3-oxopentanoate structure

CAS No:
4949-44-4
Formula:
C7H12O3
Chemical Name:
Ethyl 3-oxopentanoate
Synonyms:
Pentanoic acid,3-oxo-,ethyl ester;Valeric acid,3-oxo-,ethyl ester;Ethyl propionylacetate;Ethyl 3-ketopentanoate;Ethyl 3-oxovalerate;Ethyl 3-oxopentanoate;Ethyl propioacetate;Propionylacetic acid ethyl ester;Ethyl β-oxovalerate;Ethyl propanoylacetate;NSC 7251;NSC 78662;3-Oxopentanoic acid ethyl ester;3-Oxovaleric acid ethyl ester;Ethyl propionoylacetate;129916-45-6
Categories:
Pharmaceutical Intermediates > Antibacterials

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Description

colourless liquid

Ethyl 3-oxopentanoate Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.17

BRN：

970270

EC Number：

225-593-5

NSC Number：

78662|7251

DSSTox ID：

DTXSID20197800

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

0.7

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.0527 g/cm³ @ Temp: 20 °C

Melting Point：

98 °C

Boiling Point：

191 °C

Flash Point：

172 °F

Refractive Index：

1.416

Water Solubility：

Miscible with glacial acetic acid.

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 3-oxopentanoate Use and Manufacturing

An intermediate of Rosuvastatin.

Computed Properties

Molecular Weight:144.17
XLogP3:0.7
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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