Sabinene

Sabinene
Compound Structure:
Synonyms: SABINENE 3387-41-5 ; 4(10)-Thujene ;4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
Compound ID: NMPC-1457
PubChem ID:

18818

Molecular Formula: C10H16
Canonical SMILES: CC(C)C12CCC(=C)C1C2
InChIKey: NDVASEGYNIMXJL-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H226 (80.31%): Flammable liquid and vapor [Warning Flammable liquids]

H304 (50.39%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (21.26%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (50.39%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H411 (49.61%): Toxic 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

136.23 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

136.125200510 g/mol

Monoisotopic Mass

136.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

179

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            

Source Species: Heeria insignis
Laggera alata
Ocimum basilicum
Phyllanthus muellerianus
Solanum nigrum
Tithonia rotundifolia
Araucaria cunninghamii
Hyparrhenia rufa
Tagetes erecta
Centratherum punctatum
Murraya Koenigii
Plumeria alba
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