epi-α-bisabolol

epi-α-bisabolol
Compound Structure:
Synonyms: (-)-.alpha.-Bisabolol; (-)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol; (-)-Alpha-bisabolol(-)-alpha-bisabolol; (-)-a-Bisabolol; (-)--BISABOLOL; (-)-(4S,8S)-alpha-Bisabolol; (-)- alpha –Bisabolol; (-)-.alpha.-Bisabolol
Compound ID: NMPC-1016
PubChem ID:

442343

Molecular Formula: C15H26O
Canonical SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
InChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-N
About the compound:

Bisabolol, or more formally α-(−)-bisabolol or also known as levomenol, (-)-alpha-Bisabolol is found in fats and oils. (-)-alpha-Bisabolol is isolated from essential oil of Matricariachamomilla (German chamomile) (-)-alpha-Bisabolol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. Bisabolol, or more formally α-(−)-bisabolol or also known as levomenol, (-)-alpha-Bisabolol is found in fats and oils. (-)-alpha-Bisabolol is isolated from essential oil of Matricariachamomilla (German chamomile) (-)-alpha-Bisabolol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. Levomenol has been known to elicit a number of potentially beneficial pharmacological effects, including anti-irritant, anti-inflammatory, and anti-microbial actions. Bisabolol is also demonstrated to enhance the percutaneous absorption of certain molecules

GHS Hazard Statements

H317 (27.08%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H411 (55.23%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

H412 (44.77%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard].

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

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

284

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Boiling Point

314.00 °C. @ 760.00 mm Hg

Source: PubChem            

Source Species: Tecoma stans
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