CAS No.617-29-8,2-METHYL-3-HEXANOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	617-29-8
Name:	2-METHYL-3-HEXANOL
Article Data:	20

Formula:	C₇H₁₆O
Molecular Weight:	116.203
Synonyms:	1-Isopropyl-1-butanol;1-Isopropylbutyl alcohol;2-Methyl-3-hexanol;2-Methyl-3-hexyl alcohol;5-Methyl-4-hexanol;NSC 91501;
EINECS:	210-508-6
Density:	0.816 g/cm³
Melting Point:	-30.45°C (estimate)
Boiling Point:	145.499 °C at 760 mmHg
Flash Point:	40.556 °C
Appearance:	clear colourless to light yellow liquid
Hazard Symbols:	R10:Flammable.;
Risk Codes:	10
Safety:	16
Transport Information:	UN 1987
PSA:	20.23000
LogP:	1.80340

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Specification

The 3-Hexanol, 2-methyl-, with the CAS registry number 617-29-8, is also known as 1-Isopropyl-1-butanol. It belongs to the product categories of Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 210-508-6. This chemical's molecular formula is C₇H₁₆O and molecular weight is 116.2. What's more, its IUPAC name is 2-Methylhexan-3-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. And it can be used as solvents and synthetic organic intermediates. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

Physical properties about 3-Hexanol, 2-methyl- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.055; (4)ACD/LogD (pH 7.4): 2.055; (5)ACD/BCF (pH 5.5): 21.476; (6)ACD/BCF (pH 7.4): 21.476; (7)ACD/KOC (pH 5.5): 312.633; (8)ACD/KOC (pH 7.4): 312.633; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 35.931 cm³; (15)Molar Volume: 142.342 cm³; (16)Polarizability: 14.244×10^-24 cm³; (17)Surface Tension: 26.235 dyne/cm; (18)Density: 0.816 g/cm³; (19)Flash Point: 40.556 °C; (20)Enthalpy of Vaporization: 44.564 kJ/mol; (21)Boiling Point: 145.499 °C at 760 mmHg; (22)Vapour Pressure: 1.914 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCC(C(C)C)O
(2) InChI: InChI=1/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
(3) InChIKey: RGRUUTLDBCWYBL-UHFFFAOYAB