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Fenchol

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Name

Fenchol

EINECS 216-639-5
CAS No. 1632-73-1 Density 0.992 g/cm3
PSA 20.23000 LogP 2.19350
Solubility N/A Melting Point 43-46 °C
Formula C10H18O Boiling Point 202.9 °C at 760 mmHg
Molecular Weight 154.252 Flash Point 73.9 °C
Transport Information UN 1325 4.1/PG 2 Appearance colorless to pale yellow solid or liquid
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1632-73-1 (Fenchol) Hazard Symbols Xi
Synonyms

2-Norbornanol,1,3,3-trimethyl- (6CI,7CI,8CI);1,3,3-Trimethyl-2-norbornanol;1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol;2-Fenchanol;Fenchyl alcohol;

Article Data 33

Fenchol Specification

The Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-, with the CAS registry number 1632-73-1 and EINECS registry number 216-639-5, has the systematic name of 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol. And the molecular formula of the chemical is C10H18O. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl- are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.14; (6)ACD/BCF (pH 7.4): 67.14; (7)ACD/KOC (pH 5.5): 706.93; (8)ACD/KOC (pH 7.4): 706.93; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 45.85 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 18.17×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 51.09 kJ/mol; (21)Boiling Point: 202.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0693 mmHg at 25°C.

Uses of Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-: It can react with P-chloro-N-(2,4,6-tri-tert-butylphenyl)-l3-iminophosphine to produce ((1R)-endo)-(+)-Fenchyl-(2,4,6-tri-tert.-butylphenylimino)phosphan. This reaction will need reagent n-BuLi, and the menstruum diethyl ether and hexane. And the yield is about 41%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC2C(C1CCC2(C)C1)(C)C
(2)InChI: InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
(3)InChIKey: IAIHUHQCLTYTSF-UHFFFAOYAX

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