CAS No.60435-70-3,2-METHYL-1-HEPTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60435-70-3
Name:	2-METHYL-1-HEPTANOL
Article Data:	29

Formula:	C₈H₁₈O
Molecular Weight:	130.23
Synonyms:	2-Methyl-1-heptanol;2-Methylheptanol;NSC 9299;
Density:	0.821 g/cm³
Melting Point:	-112°C
Boiling Point:	179.2 °C at 760 mmHg
Flash Point:	71.1 °C
PSA:	20.23000
LogP:	2.19510

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Specification

The 1-Heptanol, 2-methyl-, with the CAS registry number 60435-70-3, is also known as 2-Methyl-1-heptanol. This chemical's molecular formula is C₈H₁₈O and molecular weight is 130.23. What's more, its IUPAC name is 2-Methylheptan-1-ol.

Physical properties about 1-Heptanol, 2-methyl- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.426; (8)Molar Refractivity: 40.6 cm³; (9)Molar Volume: 158.4 cm³; (10)Polarizability: 16.09×10^-24 cm³; (11)Surface Tension: 28 dyne/cm; (12)Density: 0.821 g/cm³; (13)Flash Point: 71.1 °C; (14)Enthalpy of Vaporization: 48.37 kJ/mol; (15)Boiling Point: 179.2 °C at 760 mmHg; (16)Vapour Pressure: 0.284 mmHg at 25 °C.

Preparation of 1-Heptanol, 2-methyl-: this chemical is prepared by 2-Methyl-hept-1-ene. This reaction needs reagents BH₃, aq. NaOH, 30 % H₂O₂. Meanwhile, it needs solvent Tetrahydrofuran. This reaction needs two steps, the reaction conditions are 1.) 5h, 20 °C; 2.) 2h, 20 °C. The yield is about 95 %.

The 1-Heptanol, 2-methyl- can be produced by 2-Methyl-hept-1-ene.

Uses of 1-Heptanol, 2-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-Bromo-2-methyl-heptane. This reaction needs reagents 48 % HBr, H₂SO₄. The reaction time is 5 hours with reaction temperature of 100 °C. The yield is about 42 %.

1-Heptanol, 2-methyl- can be used to produce 1-Bromo-2-methyl-heptane.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(C)CCCCC
(2) InChI: InChI=1/C8H18O/c1-3-4-5-6-8(2)7-9/h8-9H,3-7H2,1-2H3
(3) InChIKey: QZESEQBMSFFHRY-UHFFFAOYAB