3-Hydroxyhexanoic Acid Methyl Ester
- CAS NO.：21188-58-9
- Empirical Formula: C7H14O3
- Molecular Weight: 146.18
- MDL number: MFCD00083583
- EINECS: 244-261-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:23:03
What is 3-Hydroxyhexanoic Acid Methyl Ester?
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.
The Uses of 3-Hydroxyhexanoic Acid Methyl Ester
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
Properties of 3-Hydroxyhexanoic Acid Methyl Ester
| Boiling point: | 98 °C(Press: 15 Torr) |
| Density | 1 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3508 | METHYL 3-HYDROXYHEXANOATE |
| Flash point: | 185 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | neat |
| pka | 13.95±0.20(Predicted) |
| form | liquid |
| color | Colorless |
| Odor | at 10.00 % in dipropylene glycol. sweet woody ripe fruity pineapple juicy oily |
| JECFA Number | 600 |
| InChI | InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| EPA Substance Registry System | Methyl 3-hydroxyhexanoate (21188-58-9) |
Safety information for 3-Hydroxyhexanoic Acid Methyl Ester
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Hydroxyhexanoic Acid Methyl Ester
| InChIKey | ACCRBMDJCPPJDX-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)CC(O)CCC |
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