Identification

PhytoHub ID
PHUB000078
Name
Phellandrene-beta
Synonyms
  • p-Mentha-1(7),2-diene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
β phellandrene
InChI Key
LFJQCDVYDGGFCH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
SMILES
CC(C)C1CCC(=C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.44e-02 g/l
LogS (ALOGPS)
-3.60
LogP (ALOGPS)
3.98
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
46.746900000000004
Polarizability
17.46213382128086
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

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

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow
ParsleyHerbs and SpicesShow

Metabolism

No metabolism information available

Back