5-Methyl-1-phenylhexane-1,3-dione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O2
Molecular Weight	204.2649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Methyl-1-phenylhexane-1,3-dione

Structure Search

SMILES

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

InChI

InChIKey=XVTWRQCEQFDSBK-UHFFFAOYSA-N

InChI=1S/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H16O2
Molecular Weight	204.2649
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 `Tue Apr 01 17:38:56 GMT 2025` Edited by `admin` on `Tue Apr 01 17:38:56 GMT 2025`
Record UNII	UEB8CZR9NP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Hexanedione, 5-methyl-1-phenyl-

Preferred Name

English

5-Methyl-1-phenylhexane-1,3-dione

Systematic Name

English

5-Methyl-1-phenyl-1,3-hexanedione

Systematic Name

English

Code System Code Type Description

CAS

13893-97-5

Created by admin on Tue Apr 01 17:38:56 GMT 2025 , Edited by admin on Tue Apr 01 17:38:56 GMT 2025

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FDA UNII

UEB8CZR9NP

Created by admin on Tue Apr 01 17:38:56 GMT 2025 , Edited by admin on Tue Apr 01 17:38:56 GMT 2025

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ECHA (EC/EINECS)

237-661-1

Created by admin on Tue Apr 01 17:38:56 GMT 2025 , Edited by admin on Tue Apr 01 17:38:56 GMT 2025

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EPA CompTox

DTXSID70160847

Created by admin on Tue Apr 01 17:38:56 GMT 2025 , Edited by admin on Tue Apr 01 17:38:56 GMT 2025

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PUBCHEM

83800

Created by admin on Tue Apr 01 17:38:56 GMT 2025 , Edited by admin on Tue Apr 01 17:38:56 GMT 2025

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