ChemicalBook--->CAS DataBase List--->58888-76-9

58888-76-9

58888-76-9 Structure

58888-76-9 Structure
IdentificationBack Directory
[Name]

3-HYDROXY-3-METHYLHEXANOIC ACID
[CAS]

58888-76-9
[Synonyms]

Phenol,3,9-dimethoxy-
3-hydroxy-3-methylcaproicacid
3-Methyl-3-hydroxyhexanoic acid
3-HYDROXY-3-METHYLHEXANOIC ACID
Hexanoic acid, 3-hydroxy-3-methyl-
3-HYDROXY-3-METHYLHEXANOIC ACID-D5
[Molecular Formula]

C7H14O3
[MDL Number]

MFCD07779366
[MOL File]

58888-76-9.mol
[Molecular Weight]

146.18
Chemical PropertiesBack Directory
[Boiling point ]

265.4±23.0 °C(Predicted)
[density ]

1.072±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Oil
[pka]

4.40±0.10(Predicted)
[color ]

Colourless to Pale Yellow
[InChI]

InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)
[InChIKey]

RGRNSTGIHROKJB-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CC(O)(C)CCC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[HS Code ]

2918199890
Hazard InformationBack Directory
[Uses]

3-Hydroxy-3-methylhexanoic Acid is an acidic compounds of human body odor.
[Definition]

ChEBI: 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-HYDROXY-3-METHYLHEXANOIC ACID(58888-76-9)1HNMR
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