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Key Documents

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Safety Information

W291307

Sigma-Aldrich

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
EC Number:
226-745-3
Council of Europe no.:
305
MDL number:
MFCD00005826
UNSPSC Code:
12164502
PubChem Substance ID:
24901391
Flavis number:
9.430
NACRES:
NA.21
Organoleptic:
berry; jam; fruity
grade:
FG
Halal
Kosher
biological source:
synthetic
food allergen:
no known allergens

biological source

synthetic

Quality Level

400

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

SMILES string

CC(C)C(=O)OCc1ccc2OCOc2c1

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

InChI key

RQULTIASPCVEFO-UHFFFAOYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), 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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