Cas no 165184-98-5 (Hexyl cinnamaldehyde)

Hexyl cinnamaldehyde structure
Hexyl cinnamaldehyde structure
Product Name:Hexyl cinnamaldehyde
CAS No:165184-98-5
MF:C15H20O
MW:216.3187
CID:1345634
PubChem ID:1550884
Update Time:2024-03-01

Hexyl cinnamaldehyde Chemical and Physical Properties

Names and Identifiers

    • Octanal, 2-(phenylmethylene)-, (2E)-
    • (2E)-2-(phenylmethylidene)octanal
    • CAS-101-86-0
    • Tox21_202301
    • SMR001261427
    • n-Hexyl cinnamaldehyde
    • 101-86-0
    • 2-(Phenylmethylene)octanal, 9CI
    • .alpha.-Hexylcinnamic aldehyde
    • 2-Hexenyl cynnamaldehyde
    • NCGC00259850-01
    • (2E)-alpha-n-hexylcinnamaldehyde
    • 2-HEXYL-(E)-CINNAMALDEHYDE
    • MLS002174256
    • NSC406799
    • Z57936859
    • EC 639-566-4
    • Epitope ID:117426
    • CHEMBL1449245
    • NCGC00090930-01
    • MFCD00006989
    • alpha-Hexylcinnamyl aldehyde
    • CS-W014834
    • alpha-Hexylcinnamaldehyde, >=95%, stabilized, FG
    • alpha-Hexyl-beta-phenylacrolein
    • alpha-Hexylcinnamaldehyde, technical grade, 85%
    • Hexylcinnamaldehyde
    • alpha-Hexylcinnamaldehyde, analytical reference material
    • 2-(phenylmethylene)-octanal
    • (E)-2-benzylideneoctanal
    • DTXSID401020801
    • UNII-E9947QRR9O
    • VS-08571
    • alpha -hexylcinnamaldehyde
    • 2-Hexyl-3-phenyl-2-propenal
    • Hexyl cinnamic aldehyde (VAN)
    • NCGC00254188-01
    • EN300-18426
    • E9947QRR9O
    • 2-Hexylcinnamaldehyde
    • .ALPHA.-HEXYLCINNAMALDEHYDE, (2E)-
    • LS-14416
    • 2-(phenylmethylene)octanal (.beta.-hexyl cinnamaldehyde)
    • W-108898
    • Hexylzimtaldehyd
    • HMS3039O14
    • SCHEMBL113170
    • Tox21_300142
    • a-Hexylcinnamaldehyde, 8CI
    • 2-Benzylideneoctanal
    • alpha -N-hexyl-beta -phenylacrolein
    • HY-W014118
    • alpha-hexylcinna-maldehyde
    • alpha-Hexylcinnamaldehyde
    • (2E)-2-benzylideneoctanal
    • 2-[(E)-benzylidene]octanal
    • Q412025
    • alpha-Hexylcinnamaldehyde, (2E)-
    • hexyl cinnamal
    • 2-Hexyl-3-phenyl-propenal
    • NSC-406799
    • 165184-98-5
    • DTXSID4026684
    • NCGC00090930-02
    • NSC46150
    • alpha-n-hexylcinnamaldehyde
    • AKOS015839664
    • alpha-n-Hexyl-beta-phenylacrolein
    • 2-(Phenylmethylidene)octanal
    • CHEBI:55365
    • 2-(Phenylmethylene)octanal
    • -Hexyl-3-phenyl-propenal
    • Hexylcinnamal
    • .alpha.-Hexylcinnamaldehyde
    • Hexyl cinnamic aldehyde
    • Octanal, 2-(phenylmethylene)-
    • .alpha.-n-Hexyl-.beta.-phenylacrolein
    • alpha -hexylcinnamic aldehyde
    • NSC-46150
    • OCTANAL, 2-(PHENYLMETHYLENE)-, (E)-
    • alpha -N-hexyl-alpha -hexylcinnamaldehyde
    • DTXCID806684
    • Cinnamaldehyde, alpha -hexyl-
    • WLN: VHY6 & U1R
    • alfa-Hexyl Cinnam Aldehyde
    • Hexylcinnamal 2000 microg/mL in Acetonitrile
    • ?-Hexylcinnamaldehyde
    • FEMA 2569
    • alpha-Hexylcinnamic aldehyde
    • (2Z)-2-Hexyl-3-phenyl-2-propenal
    • Hexyl cinnamaldehyde
    • MDL: MFCD00006989
    • 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+
    • InChI Key: GUUHFMWKWLOQMM-NTCAYCPXSA-N
    • SMILES: CCCCCC/C(=C\C1=CC=CC=C1)/C=O

Computed Properties

  • Exact Mass: 216.1515
  • Monoisotopic Mass: 216.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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