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39516-03-5

Basic Information
CAS No.: 39516-03-5
Name: (R)-(-)-4-PHENYL-2-BUTANOL
Article Data: 233
Molecular Structure:
Molecular Structure of 39516-03-5 ((R)-(-)-4-PHENYL-2-BUTANOL)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: (R)-4-Phenyl-2-butanol;(R)-α-Methylbenzenepropanol;(R)-1-Methyl-3-phenylpropanol;(R)-1-Methyl-3-phenyl-1-propanol;Benzenepropanol,α-methyl-, (R)-;(-)-4-Phenyl-2-butanol;(αR)-α-Methylbenzenepropanol;
EINECS: -0
Density: 0.98 g/cm3
Boiling Point: 246.1 °C at 760 mmHg
Flash Point: 106.2 °C
Safety: 24/25
PSA: 20.23000
LogP: 2.00000
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Specification

The Benzenepropanol, α-methyl-, (αR)- is an organic compound with the formula C10H14O. The systematic name of this chemical is (2R)-4-Phenylbutan-2-ol. With the CAS registry number 39516-03-5, it is also named as (2R)-4-Phenyl-2-butanol. The categories of the product are Alcohols; Chiral Building Blocks; Organic Building Blocks. Besides, it should be stored in a cool, sealed and dry place.

The physical properties of Benzenepropanol, α-methyl-, (αR)- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.98; (5)ACD/BCF (pH 7.4): 28.98; (6)ACD/KOC (pH 5.5): 387.41; (7)ACD/KOC (pH 7.4): 387.41; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 46.56 cm3; (14)Molar Volume: 153.1 cm3; (15)Polarizability: 18.45×10-24 cm3; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 0.98 g/cm3; (18)Flash Point: 106.2 °C; (19)Enthalpy of Vaporization: 51.06 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0147 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](CCc1ccccc1)C
(2)InChI: InChI=1/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
(3)InChIKey: GDWRKZLROIFUML-SECBINFHBL
(4)Std. InChI: InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
(5)Std. InChIKey: GDWRKZLROIFUML-SECBINFHSA-N