(2S)-6-Methylheptan-2-ol supplier

Name
(2S)-6-Methylheptan-2-ol
EINECS
CAS No. 87247-19-6
Article Data6
CAS DataBase
Density 0.82 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O
Boiling Point 175.999 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 67.222 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-6-methylheptan-2-ol;
PSA 20.23000
LogP 2.19350

(2S)-6-Methylheptan-2-ol Specification

The (2S)-6-Methylheptan-2-ol with its cas register number is 87247-19-6. It also can be called as (S)-6-Methylheptan-2-ol and the IUPAC Name about this chemical is (2S)-6-methylheptan-2-ol.

Physical properties about (2S)-6-Methylheptan-2-ol are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.565; (3)ACD/LogD (pH 7.4): 2.565; (4)ACD/BCF (pH 5.5): 52.381; (5)ACD/BCF (pH 7.4): 52.381; (6)ACD/KOC (pH 5.5): 591.831; (7)ACD/KOC (pH 7.4): 591.831; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 20.23Å²; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 40.564 cm³; (14)Molar Volume: 158.849 cm³; (15)Polarizability: 16.081x10^-24cm³; (16)Surface Tension: 26.95 dyne/cm; (17)Enthalpy of Vaporization: 48.002 kJ/mol; (18)Vapour Pressure: 0.342 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCC(C)O
(2)Isomeric SMILES: C[C@@H](CCCC(C)C)O
(3)InChI: InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3/t8-/m0/s1
(4)InChIKey: FCOUHTHQYOMLJT-QMMMGPOBSA-N

Product Name

(2S)-6-Methylheptan-2-ol

(2S)-6-Methylheptan-2-ol Specification

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