3-OCTANONE

Structure

2D structure of 3-OCTANONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11527

Names and identifiers

Name

3-OCTANONE

Also reported as

OCTAN-3-OL; OCTEN-3-OL

IUPAC name

octan-3-ol

SMILES

CCCCCC(O)CC

General information

Molecular formula

C8H18O

Molecular weight

130.23 g/mol

Monoisotopic mass

130.1358 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cyperus glomeratus L. - -
Chemical Composition of the Essential Oil of Cyperus glomeratus L. (Cyperaceae) from Serbia doi:10.1080/10412905.2010.9700404
Glechoma hederacea L. - 3-16 ppm
Lawrence, B.M., Essential Oils 1976-1977, Essential Oils 1978, Essential Oils 1979-1980.
Mentha spicata L. essential oil 5000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. leaf 4-100 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.