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5-Methylhexanoic acid

5-Methylhexanoic acid structure

5-Methylhexanoic acid 

structure
  • CAS No:

    628-46-6

  • Formula:

    C7H14O2

  • Chemical Name:

    5-Methylhexanoic acid

  • Synonyms:

    Hexanoic acid,5-methyl-;Caproic acid,δ-methyl-;5-Methylhexanoic acid;Isoenanthic acid;5-Methylhexylic acid;5-Methylcaproic acid;NSC 1075

Description

5-Methylhexanoic acid has a fermented cheese odor.


Liquid|liquid with a cheese fermented odour


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

5-Methylhexanoic acid Basic Attributes

130.18500

130.18

215-534-1

N1AK4X34C2

1075

DTXSID8044252

Characteristics

37.30000

1.89730

Liquid

0.9140 g/cm3 @ Temp: 20 °C

<-25 °C

216 °C

>100°C

1.422

Slightly soluble in water.

Safety Information

II

8

3265

34

S26-S36/37/39

MO8400900

Xi

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

H314

|Danger|H314 (13.04%): 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 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-methylhexanoic acid

5-Methylhexanoic acid Use and Manufacturing

Hexanoic acid, 5-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

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

Flavoring Agents

Computed Properties

Molecular Weight:130.18
XLogP3:2.2
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:86.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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