Terpinolene
precursor
Showing entry for Terpinolene
Identification
- PhytoHub ID
- PHUB000092
- Name
- Terpinolene
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- terpinolene
- InChI Key
- MOYAFQVGZZPNRA-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
- SMILES
CC(C)=C1CCC(C)=CC1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.38e+00 g/l
- LogS (ALOGPS)
- -1.99
- LogP (ALOGPS)
- 3.82
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 0.0
- Refractivity
- 47.286199999999994
- Polarizability
- 17.761823923291416
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 9457
- PubChem
- 11463
- Chemistry Dashboard
- DTXSID0027222
- KNApSAcK
- C00000861
- MetaboLights
- MTBLC9457
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP004717 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007121 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007573 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP011073 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show |
Metabolism
No metabolism information available
Terpinolene