Basic information
- CAS
1197-01-9- Standard SMILES
Cc1ccc(C(C)(C)O)cc1- InChIKey
XLPDVYGDNRIQFV-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
P-cymen-8-ol is a clear colorless to pale yellow liquid with an herbaceous celery-like odor. (NTP, 1992)
Names & identifiers
- Preferred name
- p-Cymen-8-ol
- IUPAC
- 2-(4-methylphenyl)propan-2-ol
- English name
- 2-(4-Methylphenyl)propan-2-ol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-(4-methylphenyl)propan-2-olp-Cymen-8-ol8-Hydroxy-p-cymene2-(4-Methylphenyl)-2-propanolDimethyl-p-tolyl carbinolCymen-8-ol, p-2-p-Tolyl-2-propanolcherry propanolFEMA No. 3242alpha,alpha,4-Trimethylbenzyl alcohol8-p-cymenolalpha,alpha,4-Trimethylbenzenemethanol
Show more names
Benzenemethanol, α,α,4-trimethyl-p-CymenolFEMA 3242p-cymene-8-olp，α，α-Trimethylbenzyl alcohol.alpha.,.alpha.-4-Trimethylbenzenemethanol.alpha.,.alpha.-4-trimethyl-Benzenemethanolp-cymenol-8
2-(P-Methylphenyl)-2-propanol1-Methyl-4-(1-hydroxy-1-methylethyl)benzenep,alpha,alpha-Trimethylbenzyl alcoholDTXSID00248901-Methyl-4-(alpha-hydroxyisopropyl)benzeneEINECS 214-817-7NSC 361057Trimethylbenzyl alcohol, P,alpha,alpha-
Database identifiers
- CAS
1197-01-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.96 to 0.98 at 77 °F (water=1) (NTP, 1992)
0.974-0.980 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
1 to 10 mg/mL at 68.9 °F (NTP, 1992)
slightly
Slightly soluble in water
Soluble (in ethanol)
Flash Point205 °F (NTP, 1992)
Boiling Point
147 °F at 0.6 mmHg (NTP, 1992)
64.00 °C. @ 0.60 mm Hg
64 °C (0.6 mm Hg)
Melting Point9 °C
Vapor Densitygreater than 1 (Air=1) (NTP, 1992) (Relative to Air)
Refractive Index1.516-1.520
Physical Description
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (141 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.,.alpha.,4-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Benzenemethanol, .alpha.,.alpha.,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.,.alpha.,4-trimethyl-: Environment tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation of the skin and eyes.
Reactive GroupAlcohols and Polyols
Reactivity Profile
P-CYMEN-8-OL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This chemical is incompatible with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsSlightly soluble in water.
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenemethanol, .alpha.,.alpha.,4-trimethyl-: ACTIVE
Applications
OccurrenceReported found in cranberry and bilberry, currants, mint, pepper, apricot, orange juice, lemon peel oil, grapefruit juice, mandarin peel oil, tangerine peel oil, satsuma mandarin peel oil, pineapple, fresh blackberry, heated blackberry, ginger, Scotch spearmint oil, parsley leaves, Thymus vulgaris L., Thymus zygis L., carrot, tomato, nutmeg, mace, parsley, Gruyere cheese, cognac, tea, passion fruit, plum, rose, apple, sweet marjoram, mango, parsnip, licorice, dill, juniper berry, myrtle leaf, rosemary, buchu oil, lemon balm, clary sage, Spanish sage, okra, cape gooseberry, pimento berry, calabash nutmeg, ashanti pepper, sweet grass oil, angelica root oil, eucalyptus oil and mastic gum oil.
Uses2-(4-Methylphenyl)propan-2-ol can be found in a variety of plants and other sources such as kiwis, pistachio oil and Algerian Thymus munbyanus. There is a study being done to try to extract the compound for the potential use as an antioxidants in an industrial scale for Algerian Thymus munbyanus.
General DescriptionClear colorless to pale yellow liquid with an herbaceous celery-like odor.
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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