Hexyl cinnamaldehyde

Hexyl cinnamaldehyde

IUPAC name (2E)-2-benzylideneoctanal
Identifiers
CAS number	101-86-0
PubChem	1550884
ChemSpider	1267362^Y
ChEBI	CHEBI:55365^Y
Jmol-3D images	Image 1
SMILES O=C\C(=C\c1ccccc1)CCCCCC
InChI 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+^Y Key: GUUHFMWKWLOQMM-NTCAYCPXSA-N^Y InChI=1/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+ Key: GUUHFMWKWLOQMM-NTCAYCPXBH
Properties
Molecular formula	C₁₅H₂₀O
Molar mass	216.32 g mol⁻¹
Solubility in water	Insoluble
Related compounds
Related alkyl aldehydes	Isobutyraldehyde Lilial 2-Methylundecanal
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Hexyl cinnamaldehyde, or hexyl cinnamal, is a common additive in perfume and cosmetic industry as aroma substance. It is found naturally in the essential oil of chamomile.

Properties

It is a pale yellow to yellow clear liquid to solid, which is insoluble in water but soluble in oils.

Toxicity

Hexyl cinnamaldehyde is a class B allergen according to DIMDI classification. It is also an irritant in concentrations higher than recommended.

References

Dictionary of Ingredients H-M
Le Flacon - ingrédient Hexyl Cinnamal
alpha-hexyl cinnamaldehyde (data sheet, 3-D Java applet showing the molecule.)