| Common Name |
2-(4-Methylphenyl)-2-propanol
| Description |
2-(4-Methylphenyl)-2-propanol is found in allspice. 2-(4-Methylphenyl)-2-propanol occurs in essential oils, e.g. Citrus reticliata and various fresh fruits. 2-(4-Methylphenyl)-2-propanol is a flavouring ingredient2-(4-methylphenyl)-2-propanol belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29652 (2-(4-Methylphenyl)-2-propanol)
| Synonyms |
| Value |
Source |
1-Methyl-4-(1-hydroxy-1-methylethyl)benzeneHMDB
1-Methyl-4-(alpha-hydroxyisopropyl)benzeneHMDB
2-(4-Methylphenyl)propan-2-olHMDB
2-(P-Methylphenyl)-2-propanolHMDB
2-P-Tolyl-2-propanolHMDB
8-Hydroxy-P-cymeneHMDB
8-P-CymenolHMDB
a,a,4-Trimethylbenzenemethanol, 9ciHMDB
a,a,4-Trimethylbenzyl alcohol, 8ciHMDB
a-Hydroxy-P-cymeneHMDB
alpha,alpha,4-Trimethyl-benzenemethanolHMDB
alpha,alpha,4-TrimethylbenzenemethanolHMDB
alpha,alpha,4-Trimethylbenzyl alcoholHMDB
Cimen-8-olHMDB
Cymen-8-olHMDB
Dimethyl-P-tolyl carbinolHMDB
Dimethyl-P-tolylcarbinolHMDB
FEMA 3242HMDB
laquo rhoraquo -Cymene-8-olHMDB
P,alpha,alpha-Trimethylbenzyl alcoholHMDB
P-(Hydroxyisopropyl)tolueneHMDB
P-Cymen-8-olHMDB
P-Cymen-alpha-olHMDB
P-Cymene-8-olHMDB
P-CymenolHMDB
P-Cymenol-8HMDB
P-Mentha-1,3,5-trien-8-olHMDB
Para-cymen-8-olHMDB
| Chemical Formlia |
C10H14O
| Average Molecliar Weight |
150.221
| Monoisotopic Molecliar Weight |
150.104465071
| IUPAC Name |
2-(4-methylphenyl)propan-2-ol
| Traditional Name |
terpineol
| CAS Registry Number |
1197-01-9
| SMILES |
CC1=CC=C(C=C1)C(C)(C)O
| InChI Identifier |
InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
| InChI Key |
XLPDVYGDNRIQFV-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
| Kingdom |
Organic compounds
| Super Class |
Benzenoids
| Class |
Benzene and substituted derivatives
| Sub Class |
Phenylpropanes
| Direct Parent |
Phenylpropanes
| Alternative Parents |
Toluenes
Tertiary alcohols
Hydrocarbon derivatives
Aromatic alcohols
| Substituents |
Phenylpropane
Toluene
Tertiary alcohol
Hydrocarbon derivative
Aromatic alcohol
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Cell signaling
Fuel and energy storage
Fuel or energy source
Membrane integrity/stability
| Application |
Flavoring Agent
Nutrient
Stabilizers
Surfactants and Emlisifiers
| Cellliar locations |
Extracellliar
Membrane
| Physical Properties |
| State |
Liquid
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point9 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility1.22 mg/mLALOGPS
logP2.53ALOGPS
logP2.42ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)14.63ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity46.97 m3·mol-1ChemAxon
Polarizability17.77 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| MS |
Mass Spectrum (Electron Ionization)splash10-0006-9500000000-863ade6892cd39be1b4bView in MoNA
| Biological Properties |
| Cellliar Locations |
Extracellliar
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000826
| KNApSAcK ID |
C00030933
| Chemspider ID |
13872
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29652
| Metagene Link |
HMDB29652
| METLIN ID |
Not Available
| PubChem Compound |
14529
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: NSC 601980 (analog)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 18621927