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Hexyl cinnamaldehyde information


Hexyl cinnamaldehyde
Names
IUPAC name
2-Benzylideneoctanal
Other names
α-Hexyl cinnamaldehyde; 2-(Phenylmethylidene)octanal; alpha-hexyl cinnamaldehyde
Identifiers
CAS Number
  • 101-86-0 checkY
  • 165184-98-5 (2E) checkY
  • 364364-06-7 (2Z) checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:55365 checkY
ChemSpider
  • 1267362 checkY
ECHA InfoCard 100.002.713 Edit this at Wikidata
PubChem CID
  • 1550884
UNII
  • 7X6O37OK2I checkY
  • E9947QRR9O (2E) checkY
  • H2WS93I0OP (2Z) checkY
CompTox Dashboard (EPA)
  • DTXSID4026684 Edit this at Wikidata
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+ checkY
    Key: GUUHFMWKWLOQMM-NTCAYCPXSA-N checkY
  • 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
SMILES
  • O=C\C(=C\c1ccccc1)CCCCCC
Properties
Chemical formula
C15H20O
Molar mass 216.324 g·mol−1
Density 0.95 g/mL
Boiling point 308 °C (586 °F; 581 K)
Solubility in water
2.75 mg/L[1]
Related compounds
Related alkyl aldehydes
Isobutyraldehyde
Lilial
2-Methylundecanal
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Hexyl cinnamaldehyde (hexyl cinnamal) is a common additive in the perfume and cosmetic industry as aroma substance. It is found naturally in the essential oil of chamomile. It is a pale yellow to yellow liquid to solid, which is nearly insoluble in water but soluble in oils. The commercial material often contains low levels of 2,6-di-tert-butyl-4-methoxyphenol as a stabilizer.

One supplier reported that its hexyl cinnamaldehyde (or "hexyl cinnamic aldehyde") contained at least 90% trans isomer.[2]

  1. ^ alpha-hexyl cinnamaldehyde, thegoodscentscompany.com
  2. ^ "Hexyl Cinnamic Aldehyde". International Flavors & Fragrances Inc. 2010. Archived from the original on 2010-05-13.

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