3-ETHYL-3,7-DIMETHYL-6-OCTENAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H22O
Molecular Weight	182.3025
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ETHYL-3,7-DIMETHYL-6-OCTENAL

Structure Search

SMILES

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

InChI

InChIKey=GVQWHUAOSOFGJF-UHFFFAOYSA-N

InChI=1S/C12H22O/c1-5-12(4,9-10-13)8-6-7-11(2)3/h7,10H,5-6,8-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H22O
Molecular Weight	182.3025
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:27:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:27:17 GMT 2025`
Record UNII	5P02GZZ92L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-OCTENAL, 3-ETHYL-3,7-DIMETHYL-

Preferred Name

English

3-ETHYL-3,7-DIMETHYL-6-OCTENAL

Systematic Name

English

Code System Code Type Description

PUBCHEM

118180

Created by admin on Mon Mar 31 21:27:17 GMT 2025 , Edited by admin on Mon Mar 31 21:27:17 GMT 2025

PRIMARY

FDA UNII

5P02GZZ92L

Created by admin on Mon Mar 31 21:27:17 GMT 2025 , Edited by admin on Mon Mar 31 21:27:17 GMT 2025

PRIMARY

ECHA (EC/EINECS)

252-150-3

Created by admin on Mon Mar 31 21:27:17 GMT 2025 , Edited by admin on Mon Mar 31 21:27:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID00885596

Created by admin on Mon Mar 31 21:27:17 GMT 2025 , Edited by admin on Mon Mar 31 21:27:17 GMT 2025

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CAS

34687-43-9

Created by admin on Mon Mar 31 21:27:17 GMT 2025 , Edited by admin on Mon Mar 31 21:27:17 GMT 2025

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