Compound Selection

Formula: C10H18O

MW: 154.25

CAS: 562-74-3

Smiles: C=1CC(CCC1C)(C(C)C)O

Liquid

Terpinen-4-ol 97%

REFERENCE: Inflamm Res. 2000 Nov;49(11):619-26. Hart PH, Brand C, Carson CF, Riley TV, Prager RH, Finlay-Jones JJ. Department of Microbiology and Infectious Diseases, School of Medicine, Flinders University, Adelaide, Australia. J Invest Dermatol. 2004 Feb;122(2):349-60. J Invest Dermatol. 2004 Feb;122(2):349-60.

SOURCE: primary active ingredient of tea tree (Melaleuca alternifolia) oil.

ACCEPTORS: 1

DONORS: 1

ROTATION BONDS: 2

N+O: 1

Chiral Centers: 1

LogP: 3.4

LogS: -3.69

LIPINSKI: 4

Synonyms: 1-isopropyl-4-methyl-cyclohex-3-enol;1-Methyl-4-isopropyl-1-cyclohexen-4-ol;1-methyl-4-isopropyl-1-cyclohexen-4-ol (4-terpineol);1-para-Menthen-4-ol;4-methyl-1-(1-methylethyl)-3-cyclohexen-1-o;4-methyl-1-(1-methylethyl)-3-Cyclohexen-1-ol;4-Methyl-1-(methylethyl)-3-cyclohexen-1-ol;4-methyl-1-isopropyl-3-cyclohexen-1-ol

CAS:562-74-3

MF:C10H18O

MW:154.25

EINECS:209-235-5

Product Categories:Biochemistry;Terpenes;Terpenes (Others);Monocyclic Monoterpenes;Intermediates & Fine Chemicals;Pharmaceuticals;Alphabetical Listings;C-DFlavors and Fragrances;Certified Natural Products;Flavors and Fragrances;C-D Terpinen-4-ol

Chemical Properties: bp 212 C density 0.929 FEMA 2248 refractive index n20/D 1.478 Fp 175 F Water Solubility Very slightly soluble Merck 3935 Stability:Stable. Combustible. Incompatible with strong oxidizing agents.

CAS DataBase Reference: 562-74-3(

CAS DataBase Reference: ) NIST Chemistry Reference3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-(562-74-3) EPA Substance Registry System3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (562-74-3) Xn Risk Statements 22-36/37/38 Safety Statements 26-36-37/39 WGK Germany 2 RTECS OT0175110 4-Carvomenthenol Terpinen-4-ol

Usage And Synthesis:

Chemical Properties: colourless or pale yellow liquid UsageShows antioxidant effects. Antiseptic. Terpinen-4-ol

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