5986-55-0

Name Patchouli alcohol
CAS 5986-55-0
EINECS(EC#) 227-807-2
Molecular Formula C15H26O
MDL Number MFCD00209526
Molecular Weight 222.37
MOL File 5986-55-0.mol

Chemical Properties

Melting point  56°; mp (racemate) 39-40° (Danishevsky, Dumas); mp 46-47° (Mirrington, Schmalzl)
alpha  D20 -97.4° (c = 24 in chloroform)
Boiling point  bp8 140°
density  d420 1.0284
vapor pressure  0.14Pa at 24℃
refractive index  nD65 1.5029
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Solid
pka 15.23±0.70(Predicted)
color  White to Off-White
Odor at 100.00 %. patchouli earthy camphor powdery
Odor Type woody
Water Solubility  41.8mg/L at 24℃
Henry's Law Constant 1.3×101 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Major Application food and beverages
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11,12,14-,15/m0/s1
InChIKey GGHMUJBZYLPWFD-DUNKBJDJSA-N
SMILES CC1(C)[C@@H]2CC[C@]3(C)[C@@]1(O)CC[C@H](C)[C@@H]3C2
LogP 5.5 at 25℃
NIST Chemistry Reference Patchouli alcohol(5986-55-0)
EPA Substance Registry System 1,6-Methanonaphthalen- 1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-(5986-55-0)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)Environment (GHS09)
GHS08,GHS07,GHS09
Signal word  Danger
Hazard statements  H315-H319-H411-H304-H317
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety Statements 
WGK Germany  WGK 3
TSCA  TSCA listed
REACH Registrations Active
HS Code  29061990
Storage Class 11 - Combustible Solids

Hazard Information

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