3,5,5-TRIMETHYLHEXANAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H18O
Molecular Weight	142.2386
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

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

InChI

InChIKey=WTPYRCJDOZVZON-UHFFFAOYSA-N

InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Iron potentiates acetaminophen-induced oxidative stress and mitochondrial dysfunction in cultured mouse hepatocytes.	2010 Nov	20667997

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Patents

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Name

Type

Language

3,5,5-TRIMETHYLHEXANAL

Systematic Name

English

NSC-21482

Code

English

(±)-3,5,5-TRIMETHYLHEXANAL

Systematic Name

English

HEXANAL, 3,5,5-TRIMETHYL-

Systematic Name

English

GREEN HEXANAL

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3,5,5-TRIMETHYLHEXANAL

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Code System

Code

Type

Description

RXCUI

2367408

PRIMARY

FDA UNII

U62H30BXPJ

PRIMARY

PUBCHEM

21574

PRIMARY

HSDB

7626

PRIMARY

EPA CompTox

DTXSID6047107

PRIMARY

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SUBSTANCE RECORD


					U62H30BXPJ

3,5,5-TRIMETHYLHEXANAL