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Patchouli Alcohol

Patchouli Alcohol / CAS : 5986-55-0

Appearance White to Off-White Semi-Solid UN 0
HS 2906199090 DG Class 0
Synonyms Patchoulic Alcohol; (1R,3R,6S,7S,8S)-2,2,6,8-Tetramethyltricyclo[5.3.1.0]Undecan-3-ol; (-)-Patchouli Alcohol; (1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-Methanonaphthalen-1(2H)-ol; [1R-(1a,4b,4aa,6b,8aa)]-Octahydro-4,8a,9,9-Tetramethyl-1,6-Methanonaphthalen-1(2H)-ol; Patchoulol; Patchouli Camphor; Patchoulanol; 4beta,4Aalpha,6beta,8Aalpha)]-ph; (1R,4S,4aS,6R,8aS)-Octahydro-4,8a,9,9-Tetramethyl-1,6-Methanonaphthalen-1(2H)-ol; 1,6-Methanonaphthalen-1(2H)-ol, Octahydro-4,8a,9,9-Tetramethyl-, (1R,4S,4aS,6R,8aS)-; 1,6-Methanonaphthalen-1(2H)-ol,Octahydro-4,8a,9,9-Tetramethyl-,[1R-(1α,4,4aα,6,8aα)]-; 6-Methanonaphthalen-1(2h)-ol,Octahydro-4,8a,9,9-Tetramethyl-[1Theta-(1al;Patchoulanol; [1R-(1Alpha,4beta,4Aalpha,6beta,8Aalpha)]-Octahydro-4,8a,9,9-Tetramethyl-1,6-Methano-1(2H)-Naphthol; (-)-Patchoulol; (1R,3R,6S,7S,8S)-2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]Undecan-3-ol; (-)-(1R,3R,6S,7S,8S)-2,2,6,8-Tetramethyltricyclo[5.3.1.0(3,8)]Undecan-3-ol
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Properties

Summary

Formula
C15H26O
Molecular Mass
222.36600
Exact Mass
222.19800
PSA
20.23000
Logp
3.60980
IUPAC
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol
SMILES
C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Other Chemical Drugs

Chemical and Physical Properties

Melting Point
56°; mp (racemate) 39-40° (Danishevsky, Dumas); mp 46-47° (Mirrington, Schmalzl)
Density
1.001 g/cm3
Boiling Point
287.4ºC at 760 mmHg
Flash Point
120.2±10.9 °C
Appearance
White to Off-White Semi-Solid

Export information

HS Code
2906199090
Export Rebate
13%
UN No.
0
DG-Class
0

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