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Home > Encyclopedia > (±)-4-Methylhexanoic acid

(±)-4-Methylhexanoic acid

(±)-4-Methylhexanoic acid structure

(±)-4-Methylhexanoic acid 

structure
  • CAS No:

    1561-11-1

  • Formula:

    C7H14O2

  • Chemical Name:

    (±)-4-Methylhexanoic acid

  • Synonyms:

    Hexanoic acid,4-methyl-;Caproic acid,γ-methyl-;4-Methylhexanoic acid;4-Methylcaproic acid;4-Ethylpentanoic acid;(±)-4-Methylhexanoic acid;NSC 249817;22160-41-4

Description

4-methyl-hexanoic acid is a medium-chain fatty acid.

(±)-4-Methylhexanoic acid Basic Attributes

130.185

130.18

216-336-8

249817

2915900090

Characteristics

37.30000

2.19

0.9228 g/cm3 @ Temp: 20 °C

211-213 °C

102.8±6.9 °C

1.431

Safety Information

UN 2920 8/PG 2

10-34

26-36/37/39-45

C: Corrosive;

P280-P305 + P351 + P338-P310

H226-H314

|Danger|H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 129 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

4-methylhexanoic acid

(±)-4-Methylhexanoic acid Use and Manufacturing

Hexanoic acid, 4-methyl-: ACTIVE

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Flavoring Agents

Computed Properties

Molecular Weight:130.18
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:88.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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