2-Butanol,1-(phenylmethoxy)- supplier

Name
(R)-(+)-1-BENZYLOXY-BUTANE-2-OL
EINECS
CAS No. 128821-01-2
Article Data25
CAS DataBase
Density 1.023 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆O₂
Boiling Point 280.7 °C at 760 mmHg
Molecular Weight 180.247
Flash Point 114 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butanol,1-(benzyloxy)- (8CI);1-(Phenylmethoxy)-2-butanol;1-Benzyloxy-2-butanol;
PSA 29.46000
LogP 1.97410

2-Butanol,1-(phenylmethoxy)- Specification

The 2-Butanol,1-(phenylmethoxy)-, with CAS registry number 128821-01-2, has the systematic name of 1-(benzyloxy)butan-2-ol. Besides this, it is also called (R)-(+)-1-Benzyloxy-butane-2-ol. And the chemical formula of this chemical is C₁₁H₁₆O₂.

Physical properties of 2-Butanol,1-(phenylmethoxy)-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.61; (6)ACD/BCF (pH 7.4): 30.61; (7)ACD/KOC (pH 5.5): 402.94; (8)ACD/KOC (pH 7.4): 402.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 52.93 cm³; (15)Molar Volume: 176 cm³; (16)Polarizability: 20.98×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.023 g/cm³; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 54.87 kJ/mol; (21)Boiling Point: 280.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(O)CC)Cc1ccccc1
(2)InChI: InChI=1/C11H16O2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
(3)InChIKey: ZBNXMTHJYVSJGZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H16O2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
(5)Std. InChIKey: ZBNXMTHJYVSJGZ-UHFFFAOYSA-N

Product Name

(R)-(+)-1-BENZYLOXY-BUTANE-2-OL

2-Butanol,1-(phenylmethoxy)- Specification

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