3-Pentanol, 3-ethyl-2-methyl- supplier

Name
3-ETHYL-2-METHYL-3-PENTANOL
EINECS
CAS No. 597-05-7
Article Data2
CAS DataBase
Density 0.821 g/cm³
Solubility
Melting Point -61.15°C (estimate)
Formula C₈H₁₈O
Boiling Point 157.9 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 56.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethyl-2-methyl-3-pentanol;Diethylisopropylcarbinol;NSC 900;
PSA 20.23000
LogP 2.19350

3-Pentanol, 3-ethyl-2-methyl- Specification

This chemical is called 3-Pentanol, 3-ethyl-2-methyl-, and its systematic name is 3-ethyl-2-methylpentan-3-ol. With the molecular formula of C₈H₁₈O, its molecular weight is 130.23. The CAS registry number of this chemical is 597-05-7.

Other characteristics of the 3-Pentanol, 3-ethyl-2-methyl- can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.92; (6)ACD/BCF (pH 7.4): 42.92; (7)ACD/KOC (pH 5.5): 513.17; (8)ACD/KOC (pH 7.4): 513.17; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 40.57 cm³; (15)Molar Volume: 158.5 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 0.821 g/cm³; (19)Flash Point: 56.6 °C; (20)Enthalpy of Vaporization: 45.95 kJ/mol; (21)Boiling Point: 157.9 °C at 760 mmHg; (22)Vapour Pressure: 0.961 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(CC)(CC)C(C)C
2.InChI: InChI=1/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3
3.InChIKey: DMHIJUVUPKCGLJ-UHFFFAOYAK

Product Name

3-ETHYL-2-METHYL-3-PENTANOL

3-Pentanol, 3-ethyl-2-methyl- Specification

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