CAS No.818-81-5,2-METHYL-1-OCTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	818-81-5
Name:	2-METHYL-1-OCTANOL
Article Data:	55

Formula:	C₉H₂₀O
Molecular Weight:	144.257
Synonyms:	1-Hydroxy-2-methyloctane;2-Methyl-1-octanol;2-Methyloctanol;
EINECS:	212-457-5
Density:	0.824 g/cm³
Melting Point:	6.15°C (estimate)
Boiling Point:	196.6 ºC at 760 mmHg
Flash Point:	79.5 ºC
PSA:	20.23000
LogP:	2.58520

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Specification

The 1-Octanol, 2-methyl-, with the CAS registry number 818-81-5, is also known as 2-Methyl-1-octanol. Its EINECS registry number is 212-457-5. This chemical's molecular formula is C₉H₂₀O and molecular weight is 144.25. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyloctan-1-ol.

Physical properties about 1-Octanol, 2-methyl- are: (1) ACD/LogP: 3.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.35; (4) ACD/LogD (pH 7.4): 3.35; (5) ACD/BCF (pH 5.5): 206.29; (6) ACD/BCF (pH 7.4): 206.29; (7) ACD/KOC (pH 5.5): 1578.75; (8) ACD/KOC (pH 7.4): 1578.75; (9)#H bond acceptors: 1; (10) #H bond donors: 1 ; (11)#Freely Rotating Bonds: 7; (12) Polar Surface Area: 9.23 ?2 ; (13)Index of Refraction: 1.43; (14) Molar Refractivity: 45.23 cm³; (15) Molar Volume: 174.9 cm³; (16) Surface Tension: 28.5 dyne/cm; (17) Density: 0.824 g/cm³; (18) Flash Point: 79.5 °C; (19) Enthalpy of Vaporization: 50.36 kJ/mol; (20) Boiling Point: 196.6 °C at 760 mmHg; (21) Vapour Pressure: 0.102 mmHg at 25 °C.

Preparation of 1-Octanol, 2-methyl-: this chemical can be prepared by Methanol with Octan-1-ol.

The reaction occurs with reagent Sodium at temperature of 200 °C for 6 hours. The yield is 70 %.

Uses of 1-Octanol, 2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-octanal.

This reaction needs reagent PCC and solvent CH₂Cl₂ at ambient temperature. The reaction time is 2 hours. The yield is 83 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCCCCC)C
(2) InChI: InChI=1/C9H20O/c1-3-4-5-6-7-9(2)8-10/h9-10H,3-8H2,1-2H3
(3) InChIKey: IGVGCQGTEINVOH-UHFFFAOYAA