precursor
Showing entry for Menthol
Identification
- PhytoHub ID
- PHUB000062
- Name
- Menthol
- Synonyms
- Peppermint camphor
- CAS Number
- Not Available
- Average Mass
- 156.269
- Monoisotopic Mass
- 156.151415264
- Chemical Formula
- C10H20O
- IUPAC Name
- menthol
- InChI Key
- NOOLISFMXDJSKH-KXUCPTDWSA-N
- InChI Identifier
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
- SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 5.58e-01 g/l
- LogS (ALOGPS)
- -2.45
- LogP (ALOGPS)
- 2.68
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 47.445299999999996
- Polarizability
- 19.69012569770345
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.8087842408951696
- pKa (strongest acidic)
- 19.54964736878105
External Links
- ChEBI
- 18451
- ChEBI
- 15409
- ChEBI
- 15402
- PubChem
- 16666
- Chemistry Dashboard
- DTXSID1022180
- MetaboLights
- MTBLC15409
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP000249 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP001568 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP002472 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP003593 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP003595 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP003596 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP003597 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006346 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006566 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006931 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006932 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006933 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006934 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006935 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007386 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007387 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007388 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007389 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008410 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008411 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
PS043602 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Peppermint | Herbs and Spices | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Menthol | Menthane-3,7-diol (p-) | rat | urine | C10H20O2 | 172.146329884 | Publications | ||
Menthol | Menthane (3-Hydroxy-p-, 7-carboxylic acid) | rat | urine | C10H18O3 | 186.12559444 | Publications | ||
Menthol | Methane (3,8-dihydroxy-7-carboxylic acid) | rat | urine | C10H18O4 | 202.12050906 | Publications | ||
Menthol | Menthane-3,7,8-triol (p-) | rat | urine | C10H20O3 | 188.2678032 | Publications | ||
Menthol | Menthane-3,8-diol (p-) | rat | urine | C10H20O2 | 172.146329884 | Publications | ||
Menthol | Menthol glucuronide | human rat | plasma (major), urine (major) | C16H28O7 | 332.183503242 | Publications | ||
Menthol | Menthane (3,8-oxy-p-, 7-carboxylic acid) | rat | urine | C10H16O3 | 184.109944375 | Publications | ||
Menthol | Menthane (3,8-dihydroxy-p-, 7-carboxylic acid) | rat | urine | C10H18O4 | 202.12050906 | Publications | ||
Menthol | Menthane-3,9-diol (p-) | rat | urine | C10H20O2 | 172.146329884 | Publications | ||
Menthol | Menthane (3-hydroxy-p-, 9-carboxylic acid) | rat | urine | C11H20O3 | 200.141244504 | Publications | ||
Menthol | Menthane-3,8-diol glucuronide (p-) | rat | urine | C17H28O9 | 376.4046996 | Publications |