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Home > Encyclopedia > 3-Hydroxy-3-methylhexanoic acid

3-Hydroxy-3-methylhexanoic acid

3-Hydroxy-3-methylhexanoic acid structure

3-Hydroxy-3-methylhexanoic acid 

structure
  • CAS No:

    58888-76-9

  • Formula:

    C7H14O3

  • Chemical Name:

    3-Hydroxy-3-methylhexanoic acid

  • Synonyms:

    3-HYDROXY-3-METHYLHEXANOIC ACID;

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

3-hydroxy-3-methylhexanoic acid is a 3-hydroxy monocarboxylic acid that is hexanoic acid substituted by a hydroxy group and a methyl group at position 3. It is a metabolite found in human sweat. It has a role as a human metabolite. It is a 3-hydroxy monocarboxylic acid and a volatile organic compound. It is a conjugate acid of a 3-hydroxy-3-methylhexanoate.

3-Hydroxy-3-methylhexanoic acid Basic Attributes

146.18400

146.094294304

DTXSID90586585

2918199090

Characteristics

57.53000

1.01220

1.072g/cm3

265.4ºC at 760 mmHg

128.5ºC

1.463

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

3-hydroxy-3-methyl-hexanoic acid

Computed Properties

Molecular Weight:146.18
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:146.094294304
Monoisotopic Mass:146.094294304
Topological Polar Surface Area:57.5
Heavy Atom Count:10
Complexity:122
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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