OCTYL 2-METHYLBUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H26O2
Molecular Weight	214.3443
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTYL 2-METHYLBUTYRATE

Structure Search

SMILES

CCCCCCCCOC(=O)C(C)CC

InChI

InChIKey=BCOJVEMHTBSAOE-UHFFFAOYSA-N

InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H26O2
Molecular Weight	214.3443
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 19:38:52 GMT 2023` Edited by `admin` on `Fri Dec 15 19:38:52 GMT 2023`
Record UNII	GY247262WX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OCTYL 2-METHYLBUTYRATE

Systematic Name

English

(±)-OCTYL 2-METHYLBUTYRATE

Systematic Name

English

BUTANOIC ACID, 2-METHYL-, OCTYL ESTER

Common Name

English

ENT 33625

Common Name

English

OCTYL 2-METHYLBUTYRATE, (±)-

Systematic Name

English

BUTYRIC ACID, 2-METHYL-, OCTYL ESTER

Common Name

English

FEMA NO. 3604

Code

English

OCTYL 2-METHYLBUTYRATE [FHFI]

Common Name

English

OCTYL 2-METHYLBUTANOATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

OCTYL 2-METHYLBUTYRATE

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

Code System Code Type Description

FDA UNII

GY247262WX

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

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ECHA (EC/EINECS)

249-872-6

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

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JECFA MONOGRAPH

31

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

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CAS

29811-50-5

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

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PUBCHEM

520455

Created by admin on Fri Dec 15 19:38:52 GMT 2023 , Edited by admin on Fri Dec 15 19:38:52 GMT 2023

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