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Merck
CN

W229709

Cinnamyl isobutyrate

≥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

Key Documents

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Product Name

Cinnamyl isobutyrate, ≥97%, FCC, FG

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

biological source

synthetic

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

Quality Level

400

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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

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP8302
STBJ7473
STBJ4004
STBH7794
STBH3160

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S P Bhatia et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S74-S77 (2007-11-24)
A toxicologic and dermatologic review of cinnamyl isobutyrate when used as a fragrance ingredient is presented.
S P Bhatia et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S62-S65 (2007-11-27)
A toxicologic and dermatologic review of cinnamyl butyrate when used as a fragrance ingredient is presented.
Burdock GA
Encyclopedia of Food and Color Additives, 1, 606-607 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 606-607 (1997)
A toxicologic and dermatologic assessment of related esters and alcohols of cinnamic acid and cinnamyl alcohol when used as fragrance ingredients
Belsito D, et al
Food And Chemical Toxicology, 45(1), S1-S1 (2007)

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