Hexanediol supplier | CasNO.26762-52-7

Name
Hexanediol
EINECS
CAS No. 26762-52-7
Density 0.961 g/cm³
Solubility
Melting Point
Formula C₆H₁₄O₂
Boiling Point 191.5 °C at 760 mmHg
Molecular Weight 118.17
Flash Point 81.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexanediol;Hexandiol;
PSA 40.46000
LogP 0.87740

Hexanediol Specification

The Hexanediol with CAS registry number of 26762-52-7 is also known as 1,1-Hexanediol and Hexanal hydrate. The IUPAC name is Hexane-1,1-diol. In addition, the formula is C₆H₁₄O₂ and the molecular weight is 118.17.

Physical properties about Hexanediol are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.34; (8)ACD/KOC (pH 7.4): 47.34; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 32.87 cm³; (15)Molar Volume: 122.9 cm³; (16)Polarizability: 13.03×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 81.5 °C; (20)Enthalpy of Vaporization: 49.77 kJ/mol; (21)Boiling Point: 191.5 °C at 760 mmHg; (22)Vapour Pressure: 0.138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: OC(O)CCCCC
2. InChI: InChI=1/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3
3. InChIKey: ACCCMOQWYVYDOT-UHFFFAOYAU
4. Std. InChI: InChI=1S/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3
5. Std. InChIKey: ACCCMOQWYVYDOT-UHFFFAOYSA-N

Product Name

Hexanediol

Hexanediol Specification

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