CAS No.8006-39-1,TERPINEOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	8006-39-1
Name:	TERPINEOL

Formula:	C₁₀H₁₈O
Molecular Weight:	154.28
Synonyms:	Terpineol;1-Methyl-4-isopropyl-1-cyclohexen-8-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;
EINECS:	232-268-1
Density:	0.934 g/cm³
Melting Point:	18 °C
Boiling Point:	217.5 °C at 760 mmHg
Flash Point:	89.4 °C
Appearance:	slightly viscous clear liquid
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26
PSA:	20.23000
LogP:	2.50370

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Specification

The CAS register number of Terpineol is 8006-39-1. It also can be called as 1-Methyl-4-isopropyl-1-cyclohexen-8-ol and the IUPAC name about this chemical is 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol. The molecular formula about this chemical is C₁₀H₁₈O and the molecular weight is 154.25. Classification code about this chemical are Agricultural Chemical, Mutation data and Skin / Eye Irritant. This chemical is irritating to eyes and skin. When you are using it, wear suitable protective clothing. This chemical has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil. It can be used as solvents in perfumes, soaps, and medicine.

Physical properties about Terpineol are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.7; (5)ACD/BCF (pH 7.4): 77.7; (6)ACD/KOC (pH 5.5): 784.8; (7)ACD/KOC (pH 7.4): 784.8; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.23Å²; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 47.07 cm³; (14)Molar Volume: 164.9 cm³; (15)Polarizability: 18.66x10^-24cm³; (16)Surface Tension: 33.2 dyne/cm; (17)Enthalpy of Vaporization: 52.78 kJ/mol; (18)Boiling Point: 217.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0283 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C\C1=C\CC(CC1)C(O)(C)C
(2)InChI: InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
(3)InChIKey: WUOACPNHFRMFPN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
(5)Std. InChIKey: WUOACPNHFRMFPN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	1360mg/kg (1360mg/kg)		Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.
rat	LD50	oral	4300mg/kg (4300mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 997, 1974.