3-Hydroxyhexanoic Acid Methyl Ester Chemical Properties

Boiling point:

98 °C(Press: 15 Torr)

Density 

1 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.43(lit.)

FEMA 

3508 | METHYL 3-HYDROXYHEXANOATE

Flash point:

185 °F

storage temp. 

Sealed in dry,Room Temperature

pka

13.95±0.20(Predicted)

form 

liquid

color 

Colorless

Odor

at 10.00 % in dipropylene glycol. sweet woody ripe fruity pineapple juicy oily

Odor Type

fruity

JECFA Number

600

InChI

InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3

InChIKey

ACCRBMDJCPPJDX-UHFFFAOYSA-N

SMILES

C(OC)(=O)CC(O)CCC

LogP

0.51

EPA Substance Registry System

Methyl 3-hydroxyhexanoate (21188-58-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

41

Safety Statements 

26-39

RIDADR 

NA 1993 / PGIII

WGK Germany 

3

HS Code 

29181990

MSDS

• Language:English Provider:SigmaAldrich

3-Hydroxyhexanoic Acid Methyl Ester Usage And Synthesis

Description

Methyl 3-hydroxyhexanoate is ethereal, wine-like, fruity, and oily.

Description

3-hydroxy Hexanoic acid methyl ester is a hydroxylated fatty acid that is a volatile component and aromatic agent that has been found in Moro and Sanguinello blood orange juices, cape gooseberry flesh, papaya fruit, and pineapple. It is used as a flavoring agent in the food industry. [Matreya, LLC. Catalog No. 1748]

Chemical Properties

Methyl 3-hydroxyhexanoate has an ethereal, wine-like, fruity, oily, aroma.

Occurrence

Reported found in Valencia orange juice, passion fruit juice, pineapple, strawberry fruit and jam, wood apple, soursop, mountain papaya and naranjilla fruit.

Uses

3-Hydroxyhexanoic Acid Methyl Ester is an ester found in pineapple juice and is used as a flavoring compound in food.

Definition

ChEBI: Methyl 3-hydroxyhexanoate is a 3-hydroxy carboxylic acid.

Preparation

3-Hydroxyhexanoic Acid Methyl Ester is prepared from Methyl-n-propylketone plus afpha-Bromoacetic ester (or alp/za-Chloroacetic ester) in presenrx of Zinc (or Magnesium).

Taste threshold values

Taste characteristics at 5 ppm: sweet, fruity, overripe, pineapple and tropical with woody nuances

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