HEXANOIC ACID, TRIMETHYL-, 2-PROPENYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXANOIC ACID, TRIMETHYL-, 2-PROPENYL ESTER

Structure Search

SMILES

CCC(C)(C)CCCC(=O)OCC=C

InChI

InChIKey=DMPNGAXZQQAONL-UHFFFAOYSA-N

InChI=1S/C12H22O2/c1-5-10-14-11(13)8-7-9-12(3,4)6-2/h5H,1,6-10H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
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 `Mon Mar 31 21:45:08 GMT 2025` Edited by `admin` on `Mon Mar 31 21:45:08 GMT 2025`
Record UNII	67R2JSC9BD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXANOIC ACID, TRIMETHYL-, 2-PROPENYL ESTER

Preferred Name

English

Code System Code Type Description

CAS

68132-80-9

Created by admin on Mon Mar 31 21:45:08 GMT 2025 , Edited by admin on Mon Mar 31 21:45:08 GMT 2025

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EPA CompTox

DTXSID501015053

Created by admin on Mon Mar 31 21:45:08 GMT 2025 , Edited by admin on Mon Mar 31 21:45:08 GMT 2025

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PUBCHEM

109507

Created by admin on Mon Mar 31 21:45:08 GMT 2025 , Edited by admin on Mon Mar 31 21:45:08 GMT 2025

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ECHA (EC/EINECS)

268-648-9

Created by admin on Mon Mar 31 21:45:08 GMT 2025 , Edited by admin on Mon Mar 31 21:45:08 GMT 2025

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FDA UNII

67R2JSC9BD

Created by admin on Mon Mar 31 21:45:08 GMT 2025 , Edited by admin on Mon Mar 31 21:45:08 GMT 2025

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