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| CAS No.: | 1632-73-1 |
|---|---|
| Name: | Fenchol |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C10H18O |
| Molecular Weight: | 154.252 |
| 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; |
| EINECS: | 216-639-5 |
| Density: | 0.992 g/cm3 |
| Melting Point: | 43-46 °C |
| Boiling Point: | 202.9 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Appearance: | colorless to pale yellow solid or liquid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| Transport Information: | UN 1325 4.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 2.19350 |
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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%.
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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