2-Hydroxyheptyl isobutyrate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H22O3
Molecular Weight	202.2906
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Hydroxyheptyl isobutyrate

Structure Search

SMILES

CCCCCC(O)COC(=O)C(C)C

InChI

InChIKey=AQENJUWUMIOQRA-UHFFFAOYSA-N

InChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-14-11(13)9(2)3/h9-10,12H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H22O3
Molecular Weight	202.2906
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 `Wed Apr 02 19:28:26 GMT 2025` Edited by `admin` on `Wed Apr 02 19:28:26 GMT 2025`
Record UNII	ZQ3297H9PP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Hydroxyheptyl isobutyrate

Systematic Name

English

2-hydroxyheptyl 2-methylpropanoate

Preferred Name

English

Propanoic acid, 2-methyl-, 2-hydroxyheptyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

106878

Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025

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FDA UNII

ZQ3297H9PP

Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025

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CAS

67845-55-0

Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025

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ECHA (EC/EINECS)

267-327-0

Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025

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EPA CompTox

DTXSID80886945

Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025

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