ISOBUTYLSTYRYL KETONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O
Molecular Weight	188.2655
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ISOBUTYLSTYRYL KETONE

Structure Search

SMILES

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

InChI

InChIKey=LLVCDRTZBYXKII-CMDGGOBGSA-N

InChI=1S/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

HIDE SMILES / InChI

Molecular Formula	C13H16O
Molecular Weight	188.2655
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 `Tue Apr 01 19:20:57 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:57 GMT 2025`
Record UNII	ZGH79M666G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOBUTYLSTYRYL KETONE

Common Name

English

NSC-11849

Preferred Name

English

5-METHYL-1-PHENYL-1-HEXEN-3-ONE

Systematic Name

English

NSC-31025

Code

English

5-METHYL-1-PHENYLHEX-1-EN-3-ONE

Systematic Name

English

1-HEXEN-3-ONE, 5-METHYL-1-PHENYL-

Systematic Name

English

STYRYL ISOBUTYL KETONE

Common Name

English

Code System Code Type Description

PUBCHEM

5354491

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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ECHA (EC/EINECS)

220-760-9

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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FDA UNII

ZGH79M666G

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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NSC

11849

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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NSC

31025

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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CAS

2892-18-4

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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EPA CompTox

DTXSID5062687

Created by admin on Tue Apr 01 19:20:57 GMT 2025 , Edited by admin on Tue Apr 01 19:20:57 GMT 2025

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