2-ETHYLHEXANAL

Structure

2D structure of 2-ETHYLHEXANAL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 31241

Names and identifiers

Name

2-ETHYLHEXANAL

IUPAC name

2-ethylhexanal

SMILES

CCCCC(CC)C=O

General information

Molecular formula

C8H16O

Molecular weight

128.22 g/mol

Monoisotopic mass

128.1201 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Trifolium pratense L. subsp. pratense flower 3 ppm
Buchnauer,G.,Jirovetz,L.,Nikiforov,A.1996.Comparative Investigation of Essential Clover Flower Oils from Austria Using Gas Chromatography-Flame Ionization Detection,Gas Chromatography-Mass Spectometry,and Gas Chrom.-Olfactometry.J.Agrc.Food Chem.44:1827-8