β-Terpinene

β-Terpinene
Compound Structure:
Synonyms: beta-Terpinene; p-Mentha-1(7),3-diene ;b-terpinene; 99-84-3 ;Cyclohexene, 4-methylene-1-(1-methylethyl)-
Compound ID: NMPC-1656
PubChem ID:

66841
Molecular Formula: C10H16
Canonical SMILES: CC(C)C1=CCC(=C)CC1
InChIKey: SCWPFSIZUZUCCE-UHFFFAOYSA-N
About the compound:

Beta-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and gamma-terpinene being the others). In beta-terpinene the double bonds are at the 1(7)- and 3-positions of the p-menthane skeleton. beta-Terpinene has no known natural source.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

136.23 g/mol

XLogP3-AA

2.8

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

161

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Chrysophyllum albidum
Laggera aurita
Lippia multiflora
Tetrapleura tetraptera
Araucaria cunninghamii
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