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Home > Encyclopedia > 4-Methyl-3-pentenoic acid

4-Methyl-3-pentenoic acid

4-Methyl-3-pentenoic acid structure

4-Methyl-3-pentenoic acid 

structure
  • CAS No:

    504-85-8

  • Formula:

    C6H10O2

  • Chemical Name:

    4-Methyl-3-pentenoic acid

  • Synonyms:

    3-Pentenoic acid,4-methyl-;4-Methyl-3-pentenoic acid;Pyroterebic acid;4,4-Dimethyl-3-butenoic acid;4-Methyl-3-penten-1-oic acid;1866-96-2

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

4-methylpent-3-enoic acid is a methyl-branched chain fatty acid that is pent-3-enoic acid substituted by a methyl group at position 4. It has a role as a bacterial metabolite. It is a methyl-branched fatty acid, a volatile organic compound, a monounsaturated fatty acid and a short-chain fatty acid.

4-Methyl-3-pentenoic acid Basic Attributes

114.14200

114.14

610-536-2

DTXSID40198450

2916190090

Characteristics

37.30000

1.42730

0.9726 g/cm3 @ Temp: 25 °C

98 °C @ Solvent: Ligroine

107-108 °C @ Press: 13.5 Torr

104.9ºC

1.454

4-Methyl-3-pentenoic acid Use and Manufacturing

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

Flavoring Agents

Computed Properties

Molecular Weight:114.14
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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