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CAS No.: | 37778-99-7 |
---|---|
Name: | (S)-(-)-2-PHENYL-1-PROPANOL |
Article Data: | 130 |
Molecular Structure: | |
Formula: | C9H12O |
Molecular Weight: | 136.194 |
Synonyms: | Benzeneethanol,b-methyl-, (S)-;(-)-2-Phenyl-1-propanol;(-)-2-Phenylpropanol;(-)-b-Methylbenzeneethanol;(2S)-2-Phenylpropan-1-ol;(S)-(-)-2-Phenylpropyl alcohol;(S)-2-Phenyl-1-propanol;2(S)-Phenyl-1-propanol;S-(-)-2-Phenyl-1-propanol; |
Density: | 0.994 g/cm3 |
Boiling Point: | 232.22 °C at 760 mmHg |
Flash Point: | 77.407 °C |
Appearance: | Clear colourless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 23-24/25 |
PSA: | 20.23000 |
LogP: | 1.78240 |
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The CAS register number of Benzeneethanol,b-methyl-, (bS)- is 37778-99-7. It also can be called as (S)-2-Phenyl-1-propanol and the systematic name about this chemical is (2S)-2-phenylpropan-1-ol. The molecular formula about this chemical is C9H12O and the molecular weight is 136.19. It belongs to the following product categories which include Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds and so on.
Physical properties about Benzeneethanol,b-methyl-, (bS)- are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.858; (3)ACD/LogD (pH 7.4): 1.858; (4)ACD/BCF (pH 5.5): 15.199; (5)ACD/BCF (pH 7.4): 15.199; (6)ACD/KOC (pH 5.5): 244.102; (7)ACD/KOC (pH 7.4): 244.102; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 41.973 cm3; (14)Molar Volume: 137.012 cm3; (15)Polarizability: 16.639x10-24cm3; (16)Surface Tension: 37.499 dyne/cm; (17)Density: 0.994 g/cm3; (18)Flash Point: 77.407 °C; (19)Enthalpy of Vaporization: 49.556 kJ/mol; (20)Boiling Point: 232.22 °C at 760 mmHg; (21)Vapour Pressure: 0.033 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause damage to health. If you want to use it, do not breathe vapour and avoid contact with skin and eyes. It is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places. Normally it will not be decomposed and there is no dangerous reflect.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CO)c1ccccc1
(2)InChI: InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
(3)InChIKey: RNDNSYIPLPAXAZ-MRVPVSSYBN
(4)Std. InChI: InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
(5)Std. InChIKey: RNDNSYIPLPAXAZ-MRVPVSSYSA-N