Patchouli alcohol

Patchouli alcohol
Compound Structure:
Synonyms: Patchouli alcohol; 5986-55-0; Patchoulol ;patchouli camphor ;Patchoulic alcohol
Compound ID: NMPC-1378
PubChem ID:

10955174
Molecular Formula: C15H26O
Canonical SMILES: CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O
InChIKey: GGHMUJBZYLPWFD-CUZKYEQNSA-N
About the compound:

Patchouli alcohol is a carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer). It is a tertiary alcohol, a sesquiterpenoid and a carbotricyclic compound.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 226 of 250 companies (only ~ 9.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

321

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Zingiber officinale
Tecoma stans
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