-
Name
BENZYLIDENE CAMPHOR
- EINECS 239-139-9
- CAS No. 15087-24-8
- Article Data21
- CAS DataBase
- Density 1.079 g/cm3
- Solubility
- Melting Point 97 °C
- Formula C17H20O
- Boiling Point 354.5 °C at 760 mmHg
- Molecular Weight 240.345
- Flash Point 158.2 °C
- Transport Information
- Appearance
- Safety 36/37
- Risk Codes 63-62
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms 2-Bornanone,3-benzylidene- (8CI);3-Benzylidenebornan-2-one;3-Benzylidenecamphor;Benzylidenecamphor;Eusolex 6900;Ultracyd;Ultren BK;Unisol S 22;3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;
- PSA 17.07000
- LogP 4.09520
Bicyclo[2.2.1]heptan-2-one,1,7,7-trimethyl-3-(phenylmethylene)- Specification
The Bicyclo[2.2.1]heptan-2-one,1,7,7-trimethyl-3-(phenylmethylene)-, with the CAS registry number 15087-24-8, is also known as 3-Benzylidenecamphor. Its EINECS number is 239-139-9. This chemical's molecular formula is C17H20O and molecular weight is 240.34. What's more, its systematic name is 3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Physical properties of Bicyclo[2.2.1]heptan-2-one,1,7,7-trimethyl-3-(phenylmethylene)- are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1515.14; (6)ACD/BCF (pH 7.4): 1515.14; (7)ACD/KOC (pH 5.5): 6579.08; (8)ACD/KOC (pH 7.4): 6579.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 75.03 cm3; (15)Molar Volume: 222.6 cm3; (16)Polarizability: 29.74×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 158.2 °C; (20)Enthalpy of Vaporization: 59.95 kJ/mol; (21)Boiling Point: 354.5 °C at 760 mmHg; (22)Vapour Pressure: 3.34E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(=Cc1ccccc1)C3CCC2(C)C3(C)C
(2)InChI: InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
(3)InChIKey: OIQXFRANQVWXJF-UHFFFAOYSA-N
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