CAS No.40348-66-1,(R)-1,2-Butanediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40348-66-1
Name:	(R)-1,2-Butanediol
Article Data:	6

Formula:	C₄H₁₀O₂
Molecular Weight:	90.1222
Synonyms:	1,2-Butanediol,(R)-;(-)-1,2-Butanediol;(R)-(-)-1,2-Butanediol;(R)-1,2-Butanediol;
Density:	1.001g/cm³
Boiling Point:	190.3 °C at 760 mmHg
Flash Point:	93.3 °C
PSA:	40.46000
LogP:	-0.25040

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Specification

The (R)-1,2-Butanediol, with cas registry number 40348-66-1, belongs to the following product categories: API intermediates. It has the systematic name of (2R)-butane-1,2-diol. And it is also called 1,2-butanediol, (2R)-.

Physical properties about this chemical are: (1)CD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.64; (8)ACD/KOC (pH 7.4): 8.64; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 23.6 cm³; (15)Molar Volume: 89.9 cm³; (16)Polarizability: 9.35×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Enthalpy of Vaporization: 49.64 kJ/mol; (19)Vapour Pressure: 0.148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](CC)CO
(2)InChI: InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
(3)InChIKey: BMRWNKZVCUKKSR-SCSAIBSYBR
(4)Std. InChI: InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
(5)Std. InChIKey: BMRWNKZVCUKKSR-SCSAIBSYSA-N