Identification

PhytoHub ID
PHUB000079
Name
Pinene-alpha
Synonyms
  • 2-Pinene
  • Pinene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
α pinene
InChI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
SMILES
CC1=CCC2CC1C2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
1.58e-01 g/l
LogS (ALOGPS)
-2.94
LogP (ALOGPS)
3.66
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
44.7223
Polarizability
17.21820124520764
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000245MassBankEI-B Spectrum - -, [M]+*View Spectra
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005733MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007117MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Pinene-alpha Verbenol (trans-)rabbiturine (major) Publications
Pinene-alpha Myrtenolrabbiturine Publications
Pinene-alpha Myrtenic acidrabbiturine Publications
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