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2,2-Dimethylpentanoic acid

2,2-Dimethylpentanoic acid structure

CAS No:
1185-39-3
Formula:
C7H14O2
Chemical Name:
2,2-Dimethylpentanoic acid
Synonyms:
Pentanoic acid,2,2-dimethyl-;Valeric acid,2,2-dimethyl-;2,2-Dimethylpentanoic acid;2,2-Dimethylvaleric acid;α,α-Dimethylvaleric acid;NSC 61983

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Description

Alpha,alpha-dimethyl valeric acid is a methyl-branched fatty acid.

2,2-Dimethylpentanoic acid Basic Attributes

Molecular Weight：

130.18500

Exact Mass：

130.18

EC Number：

214-682-4

UNII：

95233IS466

NSC Number：

61983

DSSTox ID：

DTXSID70152141

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

1.89730

Density：

0.8833 g/cm³ @ Temp: 20 °C

Melting Point：

71 °C

Boiling Point：

101-102 °C @ Press: 11 Torr

Flash Point：

200-205°C

Refractive Index：

n20/D 1.422

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 3

wgk germany：

hazard class code：

R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

YV6487500

Marks：

C: Corrosive;

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,2-dimethylvalerate

2,2-Dimethylpentanoic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Computed Properties

Molecular Weight:130.18
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Dimethylpentanoic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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2,2-Dimethylpentanoic acid

SDS

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