1,2-DIACETIN

Structure

2D structure of 1,2-DIACETIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 66021

Names and identifiers

Name

1,2-DIACETIN

IUPAC name

3-hydroxypropane-1,2-diyl diacetate

SMILES

CC(=O)OCC(CO)OC(=O)C

General information

Molecular formula

C7H12O5

Molecular weight

176.17 g/mol

Monoisotopic mass

176.0685 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Rumex crispus L. essential oil 226000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.