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Merck
CN

68500

Cinnamyl isobutyrate

analytical standard

Synonym(s):

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
UNSPSC Code:
12164502
NACRES:
NA.24
EC Number:
203-126-6
MDL number:
MFCD00048316

Key Documents

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InChI key

KLKQSZIWHVEARN-RMKNXTFCSA-N

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+

SMILES string

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

grade

analytical standard

assay

≥96.0% (GC)

shelf life

limited shelf life, expiry date on the label

refractive index

n20/D 1.523-1.528, n20/D 1.524 (lit.)

bp

254 °C (lit.)

density

1.008 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

Quality Level

100

General description

Cinnamyl isobutyrate (CIB) is an aroma component, naturally occurring in the essential oil of cinnamon bark. This fragrance ingredient is widely found in fragrances used in shampoos, decorative cosmetics, fine fragrances, toilet soaps and other toiletries, non-cosmetic products including household cleaners, detergents, etc.

Application

Cinnamyl isobutyrate may be used as an analytical reference standard for the quantification of the analyte in watermelon (EG) flavored hookah tobacco and leaf oil of Heteropyxis dehniae Suess. using gas chromatography coupled to mass spectrometry (GC-MS).

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCB5124
BCBT1554

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Composition and bioactivity of the leaf essential oil of Heteropyxis dehniae from Zimbabwe
Sibanda S, et al.
Journal of Ethnopharmacology, 92(1), 107-111 (2004)
Fragrance material review on cinnamyl isobutyrate
Bhatia PS, et al.
Food And Chemical Toxicology, 45(1), S74-S77 (2007)
Cinnamyl isobutyrate decreases plasma glucose levels and total energy intake from a standardized breakfast: A randomized, crossover intervention
Hochkogler MC, et al.
Molecular Nutrition And Food Research, 62(17), 1701038-1701038 (2018)
Specific features of human monocytes activation by monophosphoryl lipid A
Chentouh R, et al.
Scientific reports, 8(1), 1-13 (2018)

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