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| CAS No.: | 98-55-5 |
|---|---|
| Name: | alpha-Terpineol |
| Molecular Structure: | |
|
|
|
| Formula: | C10H18O |
| Molecular Weight: | 154.252 |
| Synonyms: | 3-Cyclohexene-1-methanol,a,a,4-trimethyl-;p-Menth-1-en-8-ol(8CI);1,1-Dimethyl-1-(4-methylcyclohex-3-enyl)methanol;1-p-Menthen-8-ol;2-(4-Methyl-3-cyclohexenyl)-2-propanol;4-(2-Hydroxy-2-propyl)-1-methylcyclohexene;8-Hydroxy-p-menth-1-ene;NSC 21449;NSC 403665;PC 593;Pine Oil 593;Terpineol 350;dl-a-Terpineol;a,a,4-Trimethyl-3-cyclohexene-1-methanol;2438-12-2;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-; |
| EINECS: | 202-680-6 |
| Density: | 0.934 g/cm3 |
| Melting Point: | 31-34 °C |
| Boiling Point: | 217.5 °C at 760 mmHg |
| Flash Point: | 89.4 °C |
| Solubility: | negligible in water |
| Appearance: | colorless to pale yellow crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-38 |
| Safety: | 16-37 |
| PSA: | 20.23000 |
| LogP: | 2.50370 |
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Specification
1. Introduction of alpha-Terpineol
Alpha-Terpineol is a naturally occurring monoterpene alcohol that has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil. There are three isomers, alpha-, beta-, gamma-terpineol, and α-terpineol originates in the pine smoke used to dry the tea. What's more, the IUPAC Name of it is 2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol.
2. Properties of alpha-Terpineol
Density: 0.934 g/cm3
Melting Point: 31-34 °C
Boiling Point: 217.5 °C at 760 mmHg
Flash Point: 89.4 °C
Index of Refraction: 1.482
Molar Refractivity: 47.07 cm3
Molar Volume: 164.9 cm3
Polarizability: 18.66×10-24 cm3
Surface Tension: 33.2 dyne/cm
Enthalpy of Vaporization: 52.78 kJ/mol
Vapour Pressure: 0.0283 mmHg at 25 °C
Water Solubility: 710 mg/L
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 154.135765
MonoIsotopic Mass: 154.135765
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Complexity: 168
3. Structure Descriptors of alpha-Terpineol
Canonical SMILES: CC1=CCC(CC1)C(C)(C)O
InChI: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
InChIKey: 202-680-6
Product Categories: Tri-Terpenoids; Biochemistry; Monocyclic Monoterpenes; Terpenes
4. Toxicity of alpha-Terpineol
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 2gm/kg (2000mg/kg) | Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962. | |
| mouse | LD50 | oral | 2830mg/kg (2830mg/kg) | Chemical and Pharmaceutical Bulletin. Vol. 33, Pg. 1669, 1985. | |
| rat | LD50 | oral | 5170mg/kg (5170mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 29, 1987. |
5. Safety Information of alpha-Terpineol
Hazard Codes: 
Xi
Risk Statements: 10-38
R10:Flammable.
R38:Irritating to skin.
Safety Statements: 16-37
S16:Keep away from sources of ignition.
S37:Wear suitable gloves.
WGK Germany: 1
RTECS: WZ6700000
HS Code: 29061400
Hazardous Substances Data: 98-55-5(Hazardous Substances Data)
6. Preparation of alpha-Terpineol
Alpha-Terpineol is Terpineol is industrially by dehydration of terpin hydrate or by direct hydration of the terpene hydrocarbons contained in turpentine oil.
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7. Use of alpha-Terpineol
Terpineol is used as an ingredient in perfumes and as a foaming agent in the flotation of ores of nonferrous metals.