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Substance Name: Longifolene
RN: 475-20-7
UNII: 3YXH7YY8WM
InChIKey: PDSNLYSELAIEBU-GUIRCDHDSA-N

Note

  • From plant products.

Classification Code

  • Natural Product

Molecular Formula

  • C15-H24

Molecular Weight

  • 204.3546
 
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Names and Synonyms

Name of Substance

  • Longifolene

Synonyms

  • 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-
  • 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S-(1alpha,3abeta,4alpha,8abeta))
  • d-Longifolene
  • EINECS 207-491-2
  • Junipen
  • Junipene
  • Kuromatsuen
  • Kuromatsuene
  • Longifolen
  • Longifolene
  • NSC 150808
  • UNII-3YXH7YY8WM

Systematic Names

  • (1S-(1alpha,3Abeta,4alpha,8abeta))-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
  • 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-
  • 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S-(1alpha,3abeta,4alpha,8abeta))- (9CI)
  • 1,4-Methanoazulene, decahydro-9-methylene-4,8,8-trimethyl-, (1S-(1-alpha,3a-beta,4-alpha,8a-beta))-

Registry Numbers

CAS Registry Number

  • 475-20-7

FDA UNII

  • 3YXH7YY8WM

System Generated Number

  • 0000475207

Structure Descriptors

InChI

1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1

InChIKey

PDSNLYSELAIEBU-GUIRCDHDSA-N

Smiles

CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@H]13)C2=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 67S, 1992.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 67S, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 258 deg C   EXP
log P (octanol-water) 5.480 (none)   EST
Atmospheric OH Rate Constant 4.70E-11 cm3/molecule-sec 23 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.