Menthyl acetate
precursor
Showing entry for Menthyl acetate
Identification
- PhytoHub ID
- PHUB000064
- Name
- Menthyl acetate
- Systematic Name
- Not Available
- Synonyms
- Menthol acetate
- CAS Number
- 5157-89-1
- Average Mass
- 198.306
- Monoisotopic Mass
- 198.161979948
- Chemical Formula
- C12H22O2
- IUPAC Name
- Not Available
- InChI Key
- XHXUANMFYXWVNG-ADEWGFFLSA-N
- InChI Identifier
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
- SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O
- Structure
Structure for Menthyl acetate
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 104
- PubChem
- 220674
- Chemistry Dashboard
- DTXSID7051472
- PeakForestCompound
- 000057
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mint | Herbs and Spices | Publications | Show | |
| Peppermint | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available