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Butanoic acid, 3,3-dimethyl-, ethyl ester

Butanoic acid, 3,3-dimethyl-, ethyl ester structure

CAS No:
5340-78-3
Formula:
C8H16O2
Chemical Name:
Butanoic acid, 3,3-dimethyl-, ethyl ester
Synonyms:
Butanoic acid,3,3-dimethyl-,ethyl ester;Butyric acid,3,3-dimethyl-,ethyl ester;Butyric acid,β,β-dimethyl-,ethyl ester;Ethyl 3,3-dimethylbutyrate;Ethyl 3,3-dimethylbutanoate;NSC 949;tert-Butylacetic acid ethyl ester;3,3-Dimethylbutanoic acid ethyl ester
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Butanoic acid, 3,3-dimethyl-, ethyl ester Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

BRN：

1749778

EC Number：

226-280-6

UNII：

W67MQQ79JA

NSC Number：

949

DSSTox ID：

DTXSID50201565

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.98570

Density：

0.86

Boiling Point：

102 °C @ Press: 740 Torr

Flash Point：

34°C

Refractive Index：

1.4035

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3272

hazard class code：

safety instructions：

23-24/25

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 5 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:144.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 3,3-dimethyl-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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Butanoic acid, 3,3-dimethyl-, ethyl ester

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