Record Information
Version1.0
Creation date2015-10-09 22:31:12 UTC
Update date2017-01-19 02:36:27 UTC
FoodComEx IDPC000531
FoodDB RecordFDB014795
Chemical Information
Name2-Isopropyl-5-methylphenol
DescriptionFound in many essential oils. Especies found in the Labiatae. Rich sources are thyme oil, seed oil of Ptychotis ajowan and oils of horsemint (Monarda punctata) and Ocimum subspecies Flavouring ingredient A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed) -- Pubchem; In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives. -- Wikipedia; In a 1994 report released by five top cigarette companies, thymol was listed as one of 599 additives to cigarettes. It is said to be added to improve the flavor of cigarettes, but as mentioned above, it relaxes the trachea.; Thymol (also known as 2-isopropyl-5-methylphenol), (IPMP) is a monoterpene phenol derivative of cymene, C10H14O, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol is only slightly soluble in water, but it is extremely soluble in alcohols and other organic solvents. It is also called "Isopropyl-m-cresol" and "hydroxy cymene".; Thymol is a monoterpene phenol derivative of cymene, C10H13OH, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. It is also called "hydroxy cymene". (from Webster's 1913 dictionary) -- Wikipedia
CAS Number89-83-8
Structure
Thumb
Synonyms
SynonymSource
1-Hydroxy-5-methyl-2-isopropylbenzenebiospider
1-Methyl-3-hydroxy-4-isopropylbenzenebiospider
2-Hydroxy-1-isopropyl-4-methylbenzenebiospider
2-Isopropyl-5-methylphenol (thymol)biospider
3-Hydroxy-1-methyl-4-isopropylbenzenebiospider
3-Hydroxy-4-isopropyltoluenedb_source
3-Hydroxy-p-cymenedb_source
3-Methyl-6-isopropylphenolbiospider
3-p-Cymenolbiospider
5-Methyl-2-(1-methylethyl)phenolbiospider
5-Methyl-2-(1-methylethyl)phenol, 9CIdb_source
5-methyl-2-(propan-2-yl)phenolbiospider
5-Methyl-2-isopropyl-1-phenolbiospider
5-Methyl-2-isopropylphenolbiospider
5-methyl-2-propan-2-ylphenolbiospider
6-Isopropyl-3-methylphenolbiospider
6-Isopropyl-m-cresoldb_source
6-Isopropyl-p-cresolbiospider
Apiguardbiospider
BENZENE,2-HYDROXY,1-ISOPROPYL,4-METHYL THYMOLbiospider
Cymophenol, alpha-biospider
FEMA 3066db_source
IPBbiospider
Isopropyl cresolbiospider
Isopropyl-m-cresolbiospider
m-Cresol, 6-isopropyl-biospider
m-Thymoldb_source
p-Cymen-3-olbiospider
p-Cymen-3-ol, 8CIdb_source
p-Cymene, 3-hydroxy-biospider
p-Mentha-1,3,5-trien-3-oldb_source
Phenol, 2-isopropyl-5-methyl-biospider
Phenol, 5-methyl-2-(1-methylethyl)-biospider
Swarm brand of thymolbiospider
Thymatebiospider
Thyme camphorbiospider
Thymianic acid (obsol.)db_source
Thymianic camphor (obsol.)db_source
Thymic acidbiospider
Thymoldb_source
Thymol (JP15/NF)biospider
Thymol (TN)biospider
Thymol [usan:jan]biospider
Thymol crystal purissbiospider
Thymol swarm brandbiospider
Chemical FormulaC10H14O
IUPAC name5-methyl-2-(propan-2-yl)phenol
InChI IdentifierInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI KeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
Isomeric SMILESCC(C)C1=C(O)C=C(C)C=C1
Average Molecular Weight150.221
Monoisotopic Molecular Weight150.104465071
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentAromatic monoterpenoids
Alternative Parents
Substituents
  • P-cymene
  • Aromatic monoterpenoid
  • Monocyclic monoterpenoid
  • Cumene
  • Phenylpropane
  • M-cresol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Toluene
  • Benzenoid
  • Monocyclic benzene moiety
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP3.30HANSCH,C ET AL. (1995)
Experimental Water Solubility0.9 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 51.5°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci J11147
AKSci J40026
AKSci S046
Glentham GT9699
MetaSci HMDB0001878
Sigma-Aldrich HMDB0001878
Toronto Research Chemicals T413000