2-METHYL-2-OCTENAL, (2E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O
Molecular Weight	140.2227
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-2-OCTENAL, (2E)-

Structure Search

SMILES

CCCCC\C=C(/C)C=O

InChI

InChIKey=IHZRGRBFNMNNFV-VQHVLOKHSA-N

InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7+

HIDE SMILES / InChI

Molecular Formula	C9H16O
Molecular Weight	140.2227
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:47:18 GMT 2025` Edited by `admin` on `Mon Mar 31 20:47:18 GMT 2025`
Record UNII	964SLD7H63
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 3711

Preferred Name

English

2-METHYL-2-OCTENAL, (2E)-

Systematic Name

English

2-METHYL-2-OCTENAL

Systematic Name

English

TRANS-2-METHYL-2-OCTENAL

Common Name

English

2-OCTENAL, 2-METHYL-, (E)-

Systematic Name

English

(E)-2-METHYL-2-OCTENAL

Systematic Name

English

2-OCTENAL, 2-METHYL-, (2E)-

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-METHYL-2-OCTENAL

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

Code System Code Type Description

JECFA MONOGRAPH

1226

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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ECHA (EC/EINECS)

256-386-8

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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CAS

49576-57-0

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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FDA UNII

964SLD7H63

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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EPA CompTox

DTXSID30885903

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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PUBCHEM

5362580

Created by admin on Mon Mar 31 20:47:18 GMT 2025 , Edited by admin on Mon Mar 31 20:47:18 GMT 2025

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