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Ethyl pivalate

Ethyl pivalate structure

CAS No:
3938-95-2
Formula:
C7H14O2
Chemical Name:
Ethyl pivalate
Synonyms:
Propanoic acid,2,2-dimethyl-,ethyl ester;Pivalic acid,ethyl ester;Ethyl pivalate;Ethyl 2,2-dimethylpropionate;Ethyl 2,2-dimethylpropanoate;Ethyl trimethylacetate;NSC 17494
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

Ethyl pivalate Basic Attributes

Molecular Weight：

130.18500

Exact Mass：

130.18

EC Number：

223-520-1

UNII：

738S62LZWY

NSC Number：

17494

DSSTox ID：

DTXSID4049294

HScode：

2942000000

Characteristics

PSA：

26.30000

XLogP3：

1.59560

Density：

0.8555 g/cm³ @ Temp: 20 °C

Melting Point：

-89.5 °C

Boiling Point：

118.4 °C

Flash Point：

16ºC

Refractive Index：

1.3908-1.3928

Storage Conditions：

Flammables area

Vapor Pressure：

17.80 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3272

wgk germany：

hazard class code：

R11

safety instructions：

S16-S33-S9

Marks：

Precautionary statement(s)：

P210

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (97.87%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

ethyl pivalate

Ethyl pivalate Use and Manufacturing

Uses

Mainly used as industrial fragrances, can be used in soaps, shampoos, etc.

Manufacturing Info：

Propanoic acid, 2,2-dimethyl-, ethyl ester: INACTIVE

Computed Properties

Molecular Weight:130.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

Isobutylene

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Ethyl trimethylacetate

CAS No.: 3938-95-2

Grade: industrial Grade

Content: 98%

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