DIMETHYLBENZYL CARBINYL CROTONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O2
Molecular Weight	218.2915
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DIMETHYLBENZYL CARBINYL CROTONATE

Structure Search

SMILES

C\C=C\C(=O)OC(C)(C)CC1=CC=CC=C1

InChI

InChIKey=OKLPIYCKVVLHCP-XBXARRHUSA-N

InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+

HIDE SMILES / InChI

Molecular Formula	C14H18O2
Molecular Weight	218.2915
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:56:20 GMT 2025` Edited by `admin` on `Mon Mar 31 19:56:20 GMT 2025`
Record UNII	HA5X7B2LLJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMETHYLBENZYL CARBINYL CROTONATE

Common Name

English

FEMA NO. 4403

Preferred Name

English

2-BUTENOIC ACID, 1,1-DIMETHYL-2-PHENYLETHYL ESTER

Common Name

English

2-METHYL-1-PHENYLPROPAN-2-YL BUT-2-ENOATE

Systematic Name

English

DIMETHYLBENZYL CARBINYL CROTONATE [FHFI]

Common Name

English

1,1-DIMETHYL-2-PHENYLETHYL 2-BUTENOATE

Systematic Name

English

Code System Code Type Description

JECFA MONOGRAPH

2003

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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PUBCHEM

16205756

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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CAS

93762-34-6

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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ECHA (EC/EINECS)

297-746-4

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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EPA CompTox

DTXSID40905060

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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FDA UNII

HA5X7B2LLJ

Created by admin on Mon Mar 31 19:56:20 GMT 2025 , Edited by admin on Mon Mar 31 19:56:20 GMT 2025

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