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W229709

Cinnamyl isobutyrate

Name: Cinnamyl isobutyrate
Brand: ALDRICH

≥97%, FCC, FG

Synonym(s):

Cinnamyl 2-methylpropanoate, Isobutyric acid cinnamyl ester

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About This Item

Linear Formula:

(CH₃)₂CHCO₂CH₂CH=CHC₆H₅

CAS Number:

103-59-3

Molecular Weight:

204.26

FEMA Number:

2297

Council of Europe no.:

496

UNSPSC Code:

12164502

PubChem Substance ID:

24900960

Flavis number:

9.470

EC Number:

203-126-6

NACRES:

NA.21

MDL number:

MFCD00048316

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Properties

biological source

synthetic

Quality Segment

400

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥97%

composition

contains IFRA restricted cinnamal, benzyl alcohol, cinnamyl alcohol

refractive index

n20/D 1.524 (lit.)

bp

254 °C (lit.)

density

1.008 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

benzyl alcohol, cinnamyl alcohol, cinnamal

organoleptic

fruity; balsamic; sweet

SMILES string

CC(C)C(=O)OC\C=C\c1ccccc1

InChI

1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+

InChI key

KLKQSZIWHVEARN-RMKNXTFCSA-N

Description

General description

Cinnamyl isobutyrate is an α,β-unsaturated ester that can be used as a flavoring agent and a fragrance ingredient.

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c