Cymene-p
precursor
Showing entry for Cymene-p
Identification
- PhytoHub ID
- PHUB000039
- Name
- Cymene-p
- Synonyms
- Cymene
- Dolcymen
- Isopropyltoluene
- CAS Number
- Not Available
- Average Mass
- 134.222
- Monoisotopic Mass
- 134.109550451
- Chemical Formula
- C10H14
- IUPAC Name
- cymene
- InChI Key
- HFPZCAJZSCWRBC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- SMILES
CC(C)C1=CC=C(C)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.69e-02 g/l
- LogS (ALOGPS)
- -3.90
- LogP (ALOGPS)
- 4.17
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 45.29
- Polarizability
- 16.998172491025745
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 28768
- PubChem
- 7463
- Chemistry Dashboard
- DTXSID3026645
- KNApSAcK
- C00003040
- MetaboLights
- MTBLC28768
- FooDB (Compounds)
- FDB017358
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP001543 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007208 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007565 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Common thyme | Herbs and Spices | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | |||
|---|---|---|---|---|---|---|
| Cymene-p | Cymen-9-ol (p-) | rabbit | urine | Publications | ||
| Cymene-p | Tolylpropionic acid (alpha-,p-) | rabbit | urine | Publications | ||
| Cymene-p | Cymen-8-ol (p-) | rabbit | urine | Publications | ||
| Cymene-p | Tolyl-alpha-hydroxylpropionic acid (alpha-) | rabbit | urine | Publications | ||
| Cymene-p | Tolylacrylic acid (alpha-) | rabbit | urine | Publications | ||
| Cymene-p | Isopropylbenzoic acid (p-) | rabbit | urine | Publications | ||
| Cymene-p | 1-Hydroxyisopropylbenzoic acid (p-) | rabbit | urine | Publications |
Cymene-p