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Key Documents

W270105

Sigma-Aldrich

4-(3,4-Methylenedioxyphenyl)-2-butanone

≥99%

Synonym(s):

Piperonyl acetone

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About This Item

Empirical Formula (Hill Notation):
C11H12O3
CAS Number:
Molecular Weight:
192.21
FEMA Number:
2701
EC Number:
Council of Europe no.:
165
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.031

biological source

synthetic

assay

≥99%

bp

176 °C/17 mmHg (lit.)

mp

49-54 °C (lit.)

application(s)

flavors and fragrances

SMILES string

CC(=O)CCc1ccc2OCOc2c1

InChI

1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3

InChI key

TZJLGGWGVLADDN-UHFFFAOYSA-N

Other Notes

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Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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D J Wright et al.
Xenobiotica; the fate of foreign compounds in biological systems, 10(4), 265-270 (1980-04-01)
1. The metabolism of piperonylidene acetone, and the food additives piperonyl acetone, piperonyl acetate and piperonyl isobutyrate were studied in male rabbits after oral doses of 100 mg/kg. 2. Both piperonylidene acetone and piperonyl acetone were extensively excreted as 4-(3,4-methylenedioxyphenyl)-butan-2-ol

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