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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
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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

W291307-SAMPLE-K:
W291307-100G:
W291307-100G-K:4548173974101
W291307-25G:
W291307-1KG:
W291307-SAMPLE:
W291307-25G-K:4548173974125
W291307-VAR-K:
W291307-1KG-K:4548173974118
W291307-BULK-K:

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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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