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Merck
CN

W291307

Piperonyl isobutyrate

≥98%, FG

Synonym(s):

Heliotropyl isobutyrate, Isobutyric acid 3,4-methylenedioxybenzyl ester

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About This Item

Empirical Formula (Hill Notation):
C12H14O4
CAS Number:
5461-08-5
Molecular Weight:
222.24
FEMA Number:
2913
Council of Europe no.:
305
UNSPSC Code:
12164502
PubChem Substance ID:
24901391
Flavis number:
9.430
EC Number:
226-745-3
NACRES:
NA.21
MDL number:
MFCD00005826
Organoleptic:
berry; jam; fruity
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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SMILES string

CC(C)C(=O)OCc1ccc2OCOc2c1

InChI key

RQULTIASPCVEFO-UHFFFAOYSA-N

InChI

1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3

biological source

synthetic

grade

FG, Halal, Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.511 (lit.)

bp

91-92 °C/0.005 mmHg (lit.)

density

1.154 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

berry; jam; fruity

Quality Level

400

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN1456
MKCF2741
MKCG4695
MKCB0963V
MKBZ0391V

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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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