chempirical

Guaiol

C15H26OCAS 489-86-1222.37 g/mol

Open in Covalent MOL file
HO
AlcoholAlkene

Properties

Molecular formula
C15H26O
Molar mass
222.37 g/mol
Exact mass
222.1984 Da
Density
0.9714 g/mL (at 20 °C)
Melting point
91 °C
Boiling point
132–136 °C (at 10 Torr)
logP
3.92Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
S, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 234 ECHA notifiers. Aggregated from 234 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
489-86-1
SMILES
C[C@H]1CC[C@@H](C(C)(C)O)CC2=C1CC[C@@H]2C
InChIKey
TWVJWDMOZJXUID-SDDRHHMPSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-, (3S,5R,8S)-
  • Guai-1(5)-en-11-ol
  • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-, [3S-(3α,5α,8α)]-
  • 5-Azulenemethanol, 1,2,3,4,5β,6,7,8-octahydro-α,α,3α,8α-tetramethyl-
  • (3S,5R,8S)-1,2,3,4,5,6,7,8-Octahydro-α,α,3,8-tetramethyl-5-azulenemethanol
  • Champaca camphor
  • Champacol
  • 3,8-Dimethyl-5-α-hydroxyisopropyl-δ9-octahydroazulene
  • Guaiac alcohol
  • (-)-Guaiol
  • NSC 19941
  • 2-((3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-ol

Work with Guaiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dihydro-α-terpineol498-81-744 % similar trans-2-(4-Amino-cyclohexyl)-propan-2-ol899806-45-239 % similar (-)-α-Terpineol10482-56-137 % similar Terpineol98-55-537 % similar 2-(4-Piperidyl)-2-propanol22990-34-736 % similar Terpin hydrate2451-01-633 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Farnesol106-28-5 Bisabolol23089-26-1 trans-Nerolidol40716-66-3 Farnesol4602-84-0 Beta-Eudesmol473-15-4 Bisabolol515-69-5 Patchoulol5986-55-0 Nerolidol7212-44-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia