| Identification | Back Directory | [Name]
3-Hydroxyhexanoic Acid Methyl Ester | [CAS]
21188-58-9 | [Synonyms]
FEMA 3508
METHYL-3-HYDROXYCAPROATE
METHYL 3-HYDROXYHEXANOATE
pineapple hydroxyhexanoate
3-HYDROXY C6:0 METHYL ESTER
METHYL 3-HYDROXYHEXANOATE 97+%
3-hydroxy-hexanoicacimethylester
3-Hydroxycaproic acid methyl ester
3-Hydroxyhexanoic acid methyl ester
HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER
3-Hydroxyhexanoic Acid Methyl Ester USP/EP/BP | [EINECS(EC#)]
244-261-0 | [Molecular Formula]
C7H14O3 | [MDL Number]
MFCD00083583 | [MOL File]
21188-58-9.mol | [Molecular Weight]
146.18 |
| Chemical Properties | Back Directory | [Boiling point ]
98 °C(Press: 15 Torr) | [density ]
1 g/mL at 25 °C(lit.)
| [FEMA ]
3508 | METHYL 3-HYDROXYHEXANOATE | [refractive index ]
n20/D 1.43(lit.)
| [Fp ]
185 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
neat | [pka]
13.95±0.20(Predicted) | [color ]
Colorless | [Odor]
at 10.00 % in dipropylene glycol. sweet woody ripe fruity pineapple juicy oily | [biological source]
synthetic | [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) |
| Hazard Information | Back Directory | [Description]
Methyl 3-hydroxyhexanoate is ethereal, wine-like, fruity, and oily. | [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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