3,5,5-TRIMETHYL-1-HEXANOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H20O
Molecular Weight	144.2545
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CCO)CC(C)(C)C

InChI

InChIKey=BODRLKRKPXBDBN-UHFFFAOYSA-N

InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H20O
Molecular Weight	144.2545
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Semi-quantitative immunohistochemical analysis of male rat-specific alpha2u-globulin accumulation for chemical toxicity evaluation.	2006 Feb	16538042
Determination of secondary, oxidised di-iso-nonylphthalate (DINP) metabolites in human urine representative for the exposure to commercial DINP plasticizers.	2007 Mar 1	17055785
Fragrance material review on isononyl alcohol.	2010 Jul	20659642
Fragrance material review on 3,5,5-trimethyl-1-hexanol.	2010 Jul	20659634

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:50:29 GMT 2023` Edited by `admin` on `Fri Dec 15 16:50:29 GMT 2023`
Record UNII	O5KUD6I57K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,5,5-TRIMETHYL-1-HEXANOL

Systematic Name

English

3,5,5-TRIMETHYL-1-HEXANOL [FHFI]

Common Name

English

3,5,5-TRIMETHYLHEXANOL

Systematic Name

English

3,5,5-TRIMETHYLHEXYL ALCOHOL

Systematic Name

English

NSC-83151

Code

English

NSC-97226

Code

English

NONYLOL

Common Name

English

3,5,5-TRIMETHYLHEXAN-1-OL

Systematic Name

English

FEMA NO. 3324

Code

English

1-HEXANOL, 3,5,5-TRIMETHYL-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

492200