4-THUJANOL

4-THUJANOL Basic information
Product Name:4-THUJANOL
Synonyms:4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-4-ol;C02462;RUTINOSE HEPTAACETATE(RG);Sabinene hydrate,4-Thujanol;2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hexan-2-o;2-methyl-5-(1-methylethyl)-Bicyclo[3.1.0]hexan-2-ol;2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol;Bicyclo[3.1.0]hexan-2-ol,2-methyl-5-(1-methylethyl)-
CAS:546-79-2
MF:C10H18O
MW:154.25
EINECS:208-911-7
Product Categories:
Mol File:546-79-2.mol
4-THUJANOL Structure
4-THUJANOL Chemical Properties
Melting point 58-62 °C
Boiling point 201.7±8.0 °C(Predicted)
density 1.030±0.06 g/cm3(Predicted)
FEMA 3239 | 4-THUJANOL
storage temp. -20°C
solubility Chloroform, Ethanol (Slightly), Hexanes (Slightly)
form neat
pka15.22±0.40(Predicted)
color Off-White
Odorat 1.00 % in dipropylene glycol. minty eucalyptus green terpene
Odor Typeherbal
optical activity[α]20/D +31.5±2°, c = 1% in ethanol
JECFA Number441
LogP2.53
EPA Substance Registry SystemBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- (546-79-2)
Safety Information
WGK Germany 3
8-10-23
MSDS Information
ProviderLanguage
SigmaAldrich English
4-THUJANOL Usage And Synthesis
Chemical PropertiesThujan-4-ol has an odor reminiscent of terpineol.
OccurrenceReported found in peppermint oil (trans-form), lemon juice, mandarin peel oil, mandarin, nutmeg, peppermint, rosemary, scotch spearmint, tarragon, thyme, black currant (buds), Vitis vinifera L., ginger, spearmint oil, other Mentha oils, pepper, sweet marjoram, cardamom, origanum, dill herb, Oscimum basilicum varieties and laurel.
UsesSabinene Hydrate is a monoterpene and an essential oil component, found to have antifungal activity.
Usescis-4-Thujanol is a related compound of (+)-Sabinene (S080750), a component of juniper berry oil having antibacterial and antifungal activity.
DefinitionChEBI: Sabinene hydrate is a p-menthane monoterpenoid.
Aroma threshold valuesAroma characteristics at 1.0%: earthy camphoreous pine and turpentine-like with citrus grapefruit nuances.
Taste threshold valuesTaste characteristics at 5 ppm: woody, citrus orange and grapefruit-like.
SynthesisThe Grignard reaction with sabina ketone yields two isomers, of which one is identical to an alcohol isolated from American peppermint oil; synthetic routes for the preparation of both the cis- and trans-form are also available.
4-THUJANOL Preparation Products And Raw materials
thujane SABINENE 1-CYCLOPROPYL-1-METHYLETHANOL cis-2-ethylcyclopropanemethanol 4-THUJANOL SABINENE, (-)-(SG)

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