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98-55-5

Basic Information
CAS No.: 98-55-5
Name: alpha-Terpineol
Article Data: 165
Molecular Structure:
Molecular Structure of 98-55-5 (alpha-Terpineol)
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: IrritantXi
Risk Codes: 10-38
Safety: 16-37
PSA: 20.23000
LogP: 2.50370
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    Product Name: alpha-Terpineol CAS: 98-55-5 MF: C10H18O MW: 154.25 EINECS: 202-680-6 Mol File: 98-55-5.mol alpha-Terpineol Structure alpha-Terpineol Chemical Properties Melting point 31-35 °C (lit.) Boiling point 217-2

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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: IrritantXi
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.


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.