Methyl 3-hydroxyhexanoate

Base Information Edit

Chemical Name:Methyl 3-hydroxyhexanoate
CAS No.:21188-58-9
Deprecated CAS:127593-19-5
Molecular Formula:C7H14O3
Molecular Weight:146.186
Hs Code.:29181990
European Community (EC) Number:244-261-0
UNII:8H646ZUC4E
DSSTox Substance ID:DTXSID80864980
Nikkaji Number:J140.275G
Wikidata:Q27270468
RXCUI:2605086
Metabolomics Workbench ID:48516
Mol file:21188-58-9.mol

Synonyms:Methyl 3-hydroxyhexanoate;21188-58-9;Methyl 3-hydroxycaproate;Hexanoic acid, 3-hydroxy-, methyl ester;3-hydroxyhexanoic acid methyl ester;FEMA No. 3508;8H646ZUC4E;Methyl beta-hydroxycaproate;Methyl beta-hydroxyhexanoate;UNII-8H646ZUC4E;EINECS 244-261-0;alpha-Spinasterolglucoside;methyl-3-hydroxyhexanoate;SCHEMBL1171425;PINEAPPLE HYDROXYHEXANOATE;FEMA 3508;DTXSID80864980;CHEBI:173244;3-hydroxycaproic acid methyl ester;Methyl (+/-)-3-hydroxyhexanoate;BCP24425;WAA18858;METHYL .BETA.-HYDROXYCAPROATE;METHYL .BETA.-HYDROXYHEXANOATE;AKOS015842809;Hexanoic acid,3-hydroxy-,methyl ester;METHYL 3-HYDROXYHEXANOATE [FHFI];Methyl 3-hydroxyhexanoate, >=97%, FG;(+/-)-METHYL 3-HYDROXYHEXANOATE;AS-58404;CS-0066118;FT-0628840;METHYL 3-HYDROXYHEXANOATE, (+/-)-;Methyl 3-hydroxyhexanoate, analytical standard;E75830;EN300-1845972;J-013906;Q27270468

Suppliers and Price of Methyl 3-hydroxyhexanoate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-HydroxyhexanoicAcidMethylEster
500mg
$ 165.00

Sigma-Aldrich
Methyl 3-hydroxyhexanoate analytical standard
100mg
$ 152.00

Sigma-Aldrich
Methyl 3-hydroxyhexanoate ≥97%, FG
sample-k
$ 50.00

Sigma-Aldrich
Methyl 3-hydroxyhexanoate ≥97%, FG
1 kg
$ 1030.00

Sigma-Aldrich
Methyl 3-hydroxyhexanoate ≥97%, FG
1kg-k
$ 1030.00

Medical Isotopes, Inc.
3-HydroxyhexanoicAcidMethylEster
500 mg
$ 650.00

Frontier Specialty Chemicals
Methyl 3-hydroxyhexanoate
100g
$ 202.00

Crysdot
Methyl 3-hydroxyhexanoate 95+%
500g
$ 490.00

Cayman Chemical
3-hydroxy Hexanoic Acid methyl ester ≥98%
1mg
$ 25.00

Cayman Chemical
3-hydroxy Hexanoic Acid methyl ester ≥98%
25 mg
$ 125.00

Total 64 raw suppliers

Chemical Property of Methyl 3-hydroxyhexanoate Edit

Chemical Property:

Vapor Pressure:0.02mmHg at 25°C
Refractive Index:1.432
Boiling Point:223 °C at 760 mmHg
PKA:13.95±0.20(Predicted)
Flash Point:85 °C
PSA：46.53000
Density:1.005 g/cm³
LogP:0.71050
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:146.094294304
Heavy Atom Count:10
Complexity:101

Purity/Quality:

99% ^*data from raw suppliers

3-HydroxyhexanoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(CC(=O)OC)O
Description Methyl 3-hydroxyhexanoate is ethereal, wine-like, fruity, and oily. 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]
Uses 3-Hydroxyhexanoic Acid Methyl Ester is an ester found in pineapple juice and is used as a flavoring compound in food.

Technology Process of Methyl 3-hydroxyhexanoate

There total 25 articles about Methyl 3-hydroxyhexanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%