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Substance Name: Guaiol
RN: 489-86-1
UNII: I7WP008A91
InChIKey: TWVJWDMOZJXUID-SDDRHHMPSA-N

Molecular Formula

  • C15-H26-O

Molecular Weight

  • 222.3694
 
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Names and Synonyms

Name of Substance

  • Guaiol

Synonyms

  • (-)-Guaiol
  • Champaca camphor
  • Champacol
  • EINECS 207-702-8
  • Guaiac alcohol
  • Guaiol
  • NSC 19941
  • UNII-I7WP008A91

Systematic Names

  • 2-((3S,8S)-1,2,3,4,5,6,7,8-Octahydro-3,8-dimethylazulen-5-yl)propan-2-ol
  • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S,5R,8S)-
  • Guai-1(5)-en-11-ol (8CI)

Registry Numbers

CAS Registry Number

  • 489-86-1

FDA UNII

  • I7WP008A91

System Generated Number

  • 0000489861

Structure Descriptors

InChI

InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1

InChIKey

TWVJWDMOZJXUID-SDDRHHMPSA-N

Smiles

C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 91 deg C   EXP
log P (octanol-water) 5.240 (none)   EST
Atmospheric OH Rate Constant 1.32E-10 cm3/molecule-sec 25 EST

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