HEXYL 3-MERCAPTOBUTANOATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H20O2S
Molecular Weight	204.33
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXYL 3-MERCAPTOBUTANOATE

Structure Search

SMILES

CCCCCCOC(=O)CC(C)S

InChI

InChIKey=HDYQKQAKXIPCAP-UHFFFAOYSA-N

InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2S
Molecular Weight	204.33
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:27:08 GMT 2025` Edited by `admin` on `Mon Mar 31 20:27:08 GMT 2025`
Record UNII	8YR6WE522M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXYL 3-MERCAPTOBUTANOATE

Systematic Name

English

FEMA NO. 4136

Preferred Name

English

3-MERCAPTOBUTANOIC ACID HEXYL ESTER

Systematic Name

English

HEXYL 3-SULFANYLBUTANOATE

Systematic Name

English

(±)-HEXYL 3-MERCAPTOBUTANOATE

Systematic Name

English

HEXYL 3-MERCAPTOBUTANOATE, (±)-

Systematic Name

English

HEXYL 3-MERCAPTOBUTANOATE [FHFI]

Common Name

English

HEXYL 3-MERCAPTOBUTYRATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

HEXYL 3-MERCAPTOBUTANOATE

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

Code System Code Type Description

FDA UNII

8YR6WE522M

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

PRIMARY

JECFA MONOGRAPH

1691

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

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EPA CompTox

DTXSID201000665

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

PRIMARY

PUBCHEM

9964407

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

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CAS

796857-79-9

Created by admin on Mon Mar 31 20:27:08 GMT 2025 , Edited by admin on Mon Mar 31 20:27:08 GMT 2025

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