OCTAN-3-OL-ACETATE

Structure

2D structure of OCTAN-3-OL-ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 521238

Names and identifiers

Name

OCTAN-3-OL-ACETATE

IUPAC name

octan-3-yl acetate

SMILES

CCCCCC(CC)OC(C)=O

General information

Molecular formula

C10H20O2

Molecular weight

172.27 g/mol

Monoisotopic mass

172.1463 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Mentha spicata L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. leaf 2-25 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.