Molecular Structure of Phenol,4-tricyclo[3.3.1.13,7]dec-1-yl- (CAS No. 29799-07-3):

IUPAC Name: 4-(1-Adamantyl)phenol  
Synonyms: 4-(Adamantan-1-yl)phenol ; 4-(1-Adamantyl)phenol ; NSC 111653
Molecular Formula: C₁₆H₂₀O
Molecular Weight: 228.33
CAS Registry Number: 29799-07-3
Melting Point: 181-183 °C(lit.)
Index of Refraction: 1.612
Molar Refractivity: 68.44 cm³
Molar Volume: 196.8 cm³
Surface Tension: 52.3 dyne/cm
Density: 1.16 g/cm³
Flash Point: 190.3 °C
Enthalpy of Vaporization: 63.13 kJ/mol
Boiling Point: 361.6 °C at 760 mmHg
Vapour Pressure: 9.87E-06 mmHg at 25°C
Product Categories: Adamantane derivatives;Adamantanes;Organic Building Blocks;Oxygen Compounds;Phenols
Structure Descriptors of Phenol,4-tricyclo[3.3.1.13,7]dec-1-yl- (CAS No. 29799-07-3):
SMILES: Oc1ccc(cc1)C24CC3CC(CC(C2)C3)C4
InChI: InChI=1/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2
InChIKey: KZMYFIUFUAOZHP-UHFFFAOYAP
Std. InChI: InChI=1S/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2
Std. InChIKey: KZMYFIUFUAOZHP-UHFFFAOYSA-N

Safety Information of Phenol,4-tricyclo[3.3.1.13,7]dec-1-yl- (CAS No. 29799-07-3):
Hazard Codes: Xi 
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant