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Merck
CN

W219304

Isobutyl cinnamate

≥98%, FCC, FG

Synonym(s):

2-Methylpropyl cinnamate, 2-methylpropyl 3-phenylpropenoate

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About This Item

Linear Formula:
C6H5CH=CHCO2CH2CH(CH3)2
CAS Number:
122-67-8
Molecular Weight:
204.26
FEMA Number:
2193
Council of Europe no.:
327
UNSPSC Code:
12164502
PubChem Substance ID:
24900908
Flavis number:
9.734
EC Number:
204-564-0
NACRES:
NA.21
MDL number:
MFCD00038289
Organoleptic:
balsamic; spicy; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

300, 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

≥98%

refractive index

n20/D 1.54 (lit.)

bp

287 °C (lit.)

density

1 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

balsamic; spicy; fruity; sweet

SMILES string

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

InChI

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

InChI key

IQZUZPKOFSOVET-CMDGGOBGSA-N

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Related Categories

General description

Isobutyl cinnamate can be used as a food flavoring agent and fragrance ingredient.

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ6754
SHBP3687
STBJ9777
STBJ4704
STBH6985

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1448-1449 (1997)
Fragrance material review on isobutyl cinnamate
Bhatia SP, et al
Food And Chemical Toxicology, 45(1), S102-S105 (2007)
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients
Adams TB, et al
Food And Chemical Toxicology, 42(2), 157-185 (2002)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1448-1449 (1997)

Global Trade Item Number

SKUGTIN
W219304-10KG-K04061837544064
W219304-100G-K04061837544057
W219304-1KG-K04061837544071
W219304-SAMPLE-K04061837508776

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