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Key Documents

W221055

Sigma-Aldrich

Isobutyl phenylacetate

natural, ≥98%, FG

Synonym(s):

Phenyl acetic acid isobutyl ester

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About This Item

Linear Formula:
C6H5CH2CO2CH2CH(CH3)2
CAS Number:
Molecular Weight:
192.25
FEMA Number:
2210
MDL number:
UNSPSC Code:
12164502
Flavis number:
09.788
Organoleptic:
cocoa; honey; floral; sweet
grade:
FG
Fragrance grade
Halal
Kosher
natural
biological source:
botanical
Agency:
follows IFRA guidelines
food allergen:
no known allergens

biological source

botanical

grade

FG
Fragrance grade
Halal
Kosher
natural

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 117

Assay

≥98%

refractive index

n20/D 1.487 (lit.)

bp

253 °C (lit.)

density

0.986 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

cocoa; honey; floral; sweet

SMILES string

CC(C)COC(=O)Cc1ccccc1

InChI

1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI key

RJASFPFZACBKBE-UHFFFAOYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup


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