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CAS No.: | 89401-28-5 |
---|---|
Name: | (R)-(-)-1-BENZYLOXY-2-PROPANOL 97 |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 2-Propanol,1-(phenylmethoxy)-, (R)-;(R)-(-)-1-Benzyloxy-2-propanol; |
Density: | 1.042g/cm3 |
Boiling Point: | 263.848 °C at 760 mmHg |
Flash Point: | 108.229 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 29.46000 |
LogP: | 1.58400 |
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The 2-Propanol,1-(phenylmethoxy)-, (2R)-, with CAS registry number 89401-28-5, has the systematic name of (2R)-1-(benzyloxy)propan-2-ol. And the chemical formula of this chemical is C10H14O2.
Physical properties of 2-Propanol,1-(phenylmethoxy)-, (2R)-: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 207; (8)ACD/KOC (pH 7.4): 207; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 48.307 cm3; (15)Molar Volume: 159.509 cm3; (16)Polarizability: 19.15×10-24cm3; (17)Surface Tension: 38.458 dyne/cm; (18)Enthalpy of Vaporization: 53.003 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Propanol,1-(phenylmethoxy)-, (2R)- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C[C@H](O)C)Cc1ccccc1
(2)InChI: InChI=1/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
(3)InChIKey: KJBPYIUAQLPHJG-SECBINFHBZ
(4)Std. InChI: InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
(5)Std. InChIKey: KJBPYIUAQLPHJG-SECBINFHSA-N