3-MERCAPTOHEXYL HEXANOATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H24O2S
Molecular Weight	232.383
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-MERCAPTOHEXYL HEXANOATE

Structure Search

SMILES

CCCCCC(=O)OCCC(S)CCC

InChI

InChIKey=KVXKOWZLYWBURN-UHFFFAOYSA-N

InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H24O2S
Molecular Weight	232.383
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:18:14 GMT 2023` Edited by `admin` on `Fri Dec 15 21:18:14 GMT 2023`
Record UNII	023W2KD2VX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-MERCAPTOHEXYL HEXANOATE

Systematic Name

English

3-MERCAPTOHEXYL HEXANOATE, (±)-

Systematic Name

English

3-THIOHEXYL CAPROATE

Common Name

English

FEMA NO. 3853

Code

English

3-MERCAPTOHEXYL HEXANOATE [FHFI]

Common Name

English

(±)-3-MERCAPTOHEXYL HEXANOATE

Systematic Name

English

HEXANOIC ACID, 3-MERCAPTOHEXYL ESTER

Common Name

English

3-MERCAPTOHEXYL CAPROATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

3-MERCAPTOHEXYL HEXANOATE

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

Code System Code Type Description

PUBCHEM

536987

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

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FDA UNII

023W2KD2VX

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

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JECFA MONOGRAPH

487

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

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EPA CompTox

DTXSID70869868

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

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CAS

136954-22-8

Created by admin on Fri Dec 15 21:18:14 GMT 2023 , Edited by admin on Fri Dec 15 21:18:14 GMT 2023

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