PhytoHub: Showing entry for Menthyl acetate

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-GMUICDJXNA-N

InChI Identifier

InChI=1/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-/s2

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[[email protected]]1OC(C)=O

Structure

Similar Structures

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 Online Resources

Record ID	Source	Description	View
JP000126	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP000127	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP000128	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP000129	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP006483	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP006615	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP006616	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP006617	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP006618	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP007612	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP007613	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP007614	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP007615	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP008540	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP008962	MassBank	EI-B Spectrum - -, [M]+*	View Spectra
JP009310	MassBank	EI-B Spectrum - -, [M]+*	View Spectra

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 Metabolism

No data on inter-individual variations available

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Showing entry for Menthyl acetate