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

Structure Search

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

Molecular Formula	C9H18O
Molecular Weight	142.2386
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
An animal model of iron overload and its application to study hepatic ferritin iron mobilization by chelators.	1986 Nov 1	3778498
Iron potentiates acetaminophen-induced oxidative stress and mitochondrial dysfunction in cultured mouse hepatocytes.	2010 Nov	20667997

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:46:22 GMT 2023` Edited by `admin` on `Fri Dec 15 19:46:22 GMT 2023`
Record UNII	U62H30BXPJ
Record Status	`Validated (UNII)`
Record Version

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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

3,5,5-TRIMETHYLHEXANAL, (±)-

Systematic Name

English

3,5,5-TRIMETHYL HEXANAL

Systematic Name

English

3,5,5-TRIMETHYLHEXANAL [HSDB]

Common Name

English

TERT-BUTYLISOPENTANAL

Systematic Name

English

FEMA NO. 3524

Code

English

3,5,5-TRIMETHYLHEXANAL [FHFI]

Common Name

English

3,5,5-TRIMETHYL HEXANAL [FCC]

Common Name

English

3,5,5-TRIMETHYLCAPRONALDEHYDE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

3,5,5-TRIMETHYLHEXANAL