Molecular Structure of 3-(4-Methylbenzyliden)camphor (CAS NO.36861-47-9):
IUPAC Name: (3E)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Empirical Formula: C18H22O
Molecular Weight: 254.3667
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.583
Molar Refractivity: 79.86 cm3
Molar Volume: 238.9 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.064 g/cm3
Flash Point: 168.9 °C
Enthalpy of Vaporization: 61.9 kJ/mol
Boiling Point: 371.9 °C at 760 mmHg
Vapour Pressure: 9.99E-06 mmHg at 25°C
Melting point: 66-68°C
InChI
InChI=1/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+
Smiles
C1([C@@]2(C(\C(=C\c3ccc(C)cc3)[C@@H]1CC2)=O)C)(C)C
EINECS: 253-242-6
Product Categories: cosmetic raw material; UV-Absorber
Safety Statements 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
3-(4-Methylbenzyliden)camphor , with CAS number of 36861-47-9, can be called 1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one ; 3-(4-Methylbenzylidene)-dl-camphor ; 3-(4-Methylbenzylidene)bornan-2-one ; 3-(4-Methylbenzylidene)camphor ; 3-(4'-Methylbenzylidene)camphor ; 4-Methylbenzylidenecamphor ; p-Methylbenzylidenecamphor .
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