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Merck
CN

W256900

α-Hexylcinnamaldehyde

≥95%, stabilized, FG

Synonym(s):

Hexyl cinnamic aldehyde

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About This Item

Linear Formula:
C6H5CH=C[(CH2)5CH3]CHO
CAS Number:
101-86-0
Molecular Weight:
216.32
FEMA Number:
2569
Council of Europe no.:
129
UNSPSC Code:
12164502
PubChem Substance ID:
24901162
Flavis number:
5.041
NACRES:
NA.21
MDL number:
MFCD00006989

Key Documents

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SMILES string

[H]C(=O)\C(CCCCCC)=C\c1ccccc1

InChI

1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+

InChI key

GUUHFMWKWLOQMM-NTCAYCPXSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines

reg. compliance

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

assay

≥95%

contains

0.075-0.500% BHT as stabilizer

composition

Contains IFRA and EU1223/2009 α-Hexylcinnamaldehyde

refractive index

n20/D 1.55 (lit.)

bp

174-176 °C/15 mmHg (lit.)

density

0.95 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

α-Hexylcinnamaldehyde

organoleptic

green; floral; sweet

Quality Level

400

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General description

α-Hexylcinnamaldehyde is commonly used as a flavoring and fragrance ingredient. It shows potential chemosensitizing properties.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H317,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 2 - Skin Sens. 1

Storage Class

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ7724
MKCD3433
MKCD2910
MKBW1131V
MKBK3783V

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R J Dearman et al.
Journal of applied toxicology : JAT, 18(4), 281-284 (1998-08-27)
The local lymph node assay is an alternative method for the prospective identification of chemicals that have the potential to cause skin sensitization. Activity in the assay is measured as a function of proliferative responses by draining lymph node cells
Zhen Liu et al.
Wei sheng yan jiu = Journal of hygiene research, 38(5), 585-589 (2009-11-03)
To improve the local lymph node assay (LLNA) as an alternative method to detect chemicals for both sensitization and irritation. The following chemicals: one negative control: 4-Aminobenzoic Acid, three sensitizers: 2,4-dinitrochlorobenzene (DNCB), Hexyl cinnamic aldehyde (HCA), 2-Aminophenol (2-APC) and two
Peter J Frosch et al.
Contact dermatitis, 52(4), 207-215 (2005-04-30)
The currently used 8% fragrance mix (FM I) does not identify all patients with a positive history of adverse reactions to fragrances. A new FM II with 6 frequently used chemicals was evaluated in 1701 consecutive patients patch tested in
David A Basketter et al.
Contact dermatitis, 56(4), 196-200 (2007-03-09)
Resorcinol is a simple aromatic chemical (1,3-benzenediol) that has found widespread use, particularly as a coupler in hair dyes. Clinical experience clearly shows that resorcinol is a (albeit uncommon) skin sensitizer. By contrast, predictive methods, both animal and human, have
?-Hexylcinnamaldehyde Synergistically Increases Doxorubicin Cytotoxicity Towards Human Cancer Cell Lines.
Di Giacomo S, et al.
Anticancer Research, 36(7), 3347-3351 (2016)
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