Identification

PhytoHub ID
PHUB000077
Name
Phellandrene-alpha
Synonyms
  • p-Mentha-1,5-diene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
(+-)-α phellandrene
InChI Key
OGLDWXZKYODSOB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
SMILES
CC(C)C1CC=C(C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.33e-01 g/l
LogS (ALOGPS)
-3.01
LogP (ALOGPS)
4.29
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
47.8194
Polarizability
17.14339757127084
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
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007116MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007397MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
DillHerbs and Spices PublicationsShow
Sweet bayHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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