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1,2-Butanediol, 2,3-dimethyl-

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Name

1,2-Butanediol, 2,3-dimethyl-

EINECS 266-403-0
CAS No. 66553-15-9 Density 0.96 g/cm3
PSA 40.46000 LogP 0.38570
Solubility N/A Melting Point 26.38°C (estimate)
Formula C6H14O2 Boiling Point 184.9 °C at 760 mmHg
Molecular Weight 118.176 Flash Point 77 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66553-15-9 (2,3-dimethylbutane-1,2-diol) Hazard Symbols N/A
Synonyms

2,3-Dimethyl-1,2-butanediol;NSC 126861;

Article Data 15

1,2-Butanediol, 2,3-dimethyl- Specification

This chemical is called 1,2-Butanediol, 2,3-dimethyl-, and its systematic name is 2,3-dimethylbutane-1,2-diol. With the molecular formula of C6H14O2, its molecular weight is 118.17. The CAS registry number of this chemical is 66553-15-9.

Other characteristics of the 1,2-Butanediol, 2,3-dimethyl- can be summarised as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.69; (8)ACD/KOC (pH 7.4): 20.69; (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: 1.446; (14)Molar Refractivity: 32.84 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 13.01×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 77 °C; (20)Enthalpy of Vaporization: 49.01 kJ/mol; (21)Boiling Point: 184.9 °C at 760 mmHg; (22)Vapour Pressure: 0.204 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCC(O)(C)C(C)C
2.InChI: InChI=1/C6H14O2/c1-5(2)6(3,8)4-7/h5,7-8H,4H2,1-3H3
3.InChIKey: SQLSBTNINKQQPG-UHFFFAOYAP

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