3-HYDROXY-3-METHYLHEXANOIC ACID Chemical Properties

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 Information

HS Code 

2918199890

3-HYDROXY-3-METHYLHEXANOIC ACID Usage And Synthesis

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.

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