METHYLTHIOMETHYL HEXANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O2S
Molecular Weight	176.276
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLTHIOMETHYL HEXANOATE

Structure Search

SMILES

CCCCCC(=O)OCSC

InChI

InChIKey=NWSZEYNCLKNLMJ-UHFFFAOYSA-N

InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)10-7-11-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H16O2S
Molecular Weight	176.276
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:10:44 UTC 2023` Edited by `admin` on `Fri Dec 15 19:10:44 UTC 2023`
Record UNII	2VJ58GF47Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLTHIOMETHYL HEXANOATE

Systematic Name

English

HEXANOIC ACID, (METHYLTHIO)METHYL ESTER

Common Name

English

(METHYLTHIO)METHYL HEXANOATE

Systematic Name

English

METHYLTHIOMETHYL HEXANOATE [FHFI]

Common Name

English

FEMA NO. 3880

Code

English

Classification Tree Code System Code

JECFA EVALUATION

METHYLTHIOMETHYL HEXANOATE

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

Code System Code Type Description

FDA UNII

2VJ58GF47Z

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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EPA CompTox

DTXSID3072795

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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CAS

74758-91-1

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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ECHA (EC/EINECS)

277-988-7

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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PUBCHEM

173312

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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JECFA MONOGRAPH

521

Created by admin on Fri Dec 15 19:10:44 UTC 2023 , Edited by admin on Fri Dec 15 19:10:44 UTC 2023

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