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13351-61-6

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Basic Information
CAS No.: 13351-61-6
Name: 2,2-Dimethyl-3-phenyl-1-propanol
Article Data: 16
Molecular Structure:
Molecular Structure of 13351-61-6 (2,2-Dimethyl-3-phenyl-1-propanol)
Formula: C11H16O
Molecular Weight: 164.247
Synonyms: 1-Propanol,2,2-dimethyl-3-phenyl- (7CI,8CI);2,2-Dimethyl-3-phenyl-1-propanol;2,2-Dimethyl-3-phenylpropanol;2,2-Dimethyl-3-phenylpropyl alcohol;Muguetalcohol;b,b-Dimethylbenzenepropanol;β，β-dimethyl bezenepropanol;
EINECS: 236-400-9
Density: 0.969g/cm3
Melting Point: 34.5 °C
Boiling Point: 257.2°Cat760mmHg
Flash Point: 109.4°C
Solubility: 1.49g/L at 20℃
PSA: 20.23000
LogP: 2.24760
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Chemistry

Molecular Structure of 2,2-Dimethyl-3-phenyl-1-propanol (CAS NO.13351-61-6):

IUPAC Name: 2,2-Dimethyl-3-phenylpropan-1-ol 
Molecular Formula: C11H16O
Molecular Weight: 164.24
EINECS: 236-400-9
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 1 
Index of Refraction: 1.516
Molar Refractivity: 51.2 cm3
Molar Volume: 169.3 cm3
Surface Tension: 36.1 dyne/cm
Density: 0.969 g/cm3
Flash Point: 109.4 °C
Enthalpy of Vaporization: 52.28 kJ/mol
Boiling Point: 257.2 °C at 760 mmHg
Vapour Pressure: 0.00755 mmHg at 25 °C
Melting Point: 34.5 °C
log P (octanol-water): 2.930
Atmospheric OH Rate Constant: 1.05E-11 cm3/molecule-sec at 25 °C
Canonical SMILES: CC(C)(CC1=CC=CC=C1)CO
InChI: InChI=1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey: VNGAHMPMLRTSLF-UHFFFAOYSA-N

Specification

 2,2-Dimethyl-3-phenyl-1-propanol (CAS NO.13351-61-6), its Synonyms are Benzenepropanol, beta,beta-dimethyl- ; 1-Propanol,2,2-dimethyl-3-phenyl- (7CI,8CI) ; 2,2-Dimethyl-3-phenylpropanol ; Muguetalcohol .