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2-Butanol,1-(phenylmethoxy)-

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Name

2-Butanol,1-(phenylmethoxy)-

EINECS
CAS No. 128821-01-2 Density 1.023 g/cm3
Solubility Melting Point
Formula C11H16O2 Boiling Point 280.7 °C at 760 mmHg
Molecular Weight 180.24 Flash Point 114 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 128821-01-2 (2-Butanol,1-(phenylmethoxy)-) Hazard Symbols
Synonyms

2-Butanol,1-(benzyloxy)- (8CI);1-(Phenylmethoxy)-2-butanol;1-Benzyloxy-2-butanol;

 

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

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