Beta-caryophyllene epoxide

Beta-caryophyllene epoxide
Compound Structure:
Synonyms: Caryophyllene oxide;(-)-Caryophyllene oxide;1139-30-6;beta-Caryophyllene oxide;beta-Caryophyllene epoxide;(-)-Epoxycaryophyllene;Epoxycaryophyllene;trans-caryophyllene oxide;(-)Carophyllene oxide;UNII-S2XU9K448U
Compound ID: NMPC-659
PubChem ID:

1742210

Molecular Formula: C15H24O
Canonical SMILES: CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
InChIKey: NVEQFIOZRFFVFW-RGCMKSIDSA-N
About the compound:

GHS Hazard Statements

H315 (26.92%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (26.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H411 (73.72%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

12.5²

Heavy Atom Count

16

Formal Charge

0

Complexity

330

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Fine colorless crystals; [MSDSonline]

Solubility 

Insoluble in water; Soluble in fat

Source: PubChem

Source Species: Crateva adansonii
Culcasia scandens
Dalbergia saxatilis
Schrebera arborea
Eucalyptus cloeziana
Securidata longependuculat
Boswellia dalzielii
Tagetes erecta
Eugenia uniflora
Cyperus articulatus
Centratherum punctatum
Morinda lucida
Mucuna pruriens
Pentaclethra macrophylla
Plumeria alba
Polyalthia suaveolens
Pyrenacantha staudtii
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