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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O3
Molecular Weight 146.1843
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-HYDROXYHEXANOATE

SMILES

CCCC(O)CC(=O)OC

InChI

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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Integrating heterogeneous odor response data into a common response model: A DoOR to the complete olfactome.
2010 Sep
Patents

Patents

Name Type Language
METHYL 3-HYDROXYHEXANOATE
FHFI  
Systematic Name English
METHYL 3-HYDROXYHEXANOATE, (±)-
Systematic Name English
METHYL .BETA.-HYDROXYHEXANOATE
Systematic Name English
FEMA NO. 3508
Code English
METHYL 3-HYDROXYCAPROATE
Systematic Name English
(±)-METHYL 3-HYDROXYHEXANOATE
Systematic Name English
METHYL .BETA.-HYDROXYCAPROATE
Systematic Name English
METHYL 3-HYDROXYHEXANOATE [FHFI]
Common Name English
PINEAPPLE HYDROXYHEXANOATE
Common Name English
HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 3-HYDROXYHEXANOATE
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID80864980
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
DAILYMED
8H646ZUC4E
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
FDA UNII
8H646ZUC4E
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
JECFA MONOGRAPH
160
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-261-0
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
PUBCHEM
519845
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
CAS
21188-58-9
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY
RXCUI
2605086
Created by admin on Fri Dec 15 19:51:08 GMT 2023 , Edited by admin on Fri Dec 15 19:51:08 GMT 2023
PRIMARY