1,5-Pentanediol,2-methyl- supplier

Name
2-methylpentane-1,5-diol
EINECS 255-971-5
CAS No. 42856-62-2
Article Data19
CAS DataBase
Density 0.961 g/cm³
Solubility
Melting Point 26.38°C (estimate)
Formula C₆H₁₄O₂
Boiling Point 229.9 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 107.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-1,5-pentanediol;
PSA 40.46000
LogP 0.38730

1,5-Pentanediol,2-methyl- Specification

The 1, 5-Pentanediol, 2-methyl-, with the CAS registry number of 42856-62-2, is also known as 2-Methyl-1, 5-pentanediol. Its EINECS registry number is 255-971-5. This chemical's molecular formula is C₆H₁₄O₂ and molecular weight is 118.17416. What's more, its IUPAC name is 2-Methylpentane-1, 5-diol.

Physical properties about 1, 5-Pentanediol, 2-methyl- are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.38; (8)ACD/KOC (pH 7.4): 17.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 32.87 cm³; (15)Molar Volume: 122.9 cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 0.961 g/cm³; (18)Flash Point: 107.2 °C; (19)Enthalpy of Vaporization: 54.23 kJ/mol; (20)Boiling Point: 229.9 °C at 760 mmHg; (21)Vapour Pressure: 0.013 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCCC(C)CO
(2) InChI: InChI=1/C6H14O2/c1-6(5-8)3-2-4-7/h6-8H,2-5H2,1H3
(3) InChIKey: AAAWJUMVTPNRDT-UHFFFAOYAX

Product Name

2-methylpentane-1,5-diol

1,5-Pentanediol,2-methyl- Specification

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