3-Hexanol, 2-methyl- supplier

Name
2-METHYL-3-HEXANOL
EINECS 210-508-6
CAS No. 617-29-8
Article Data20
CAS DataBase
Density 0.816 g/cm³
Solubility
Melting Point -30.45°C (estimate)
Formula C₇H₁₆O
Boiling Point 145.499 °C at 760 mmHg
Molecular Weight 116.203
Flash Point 40.556 °C
Transport Information UN 1987
Appearance clear colourless to light yellow liquid
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols R10:Flammable.;
Synonyms 1-Isopropyl-1-butanol;1-Isopropylbutyl alcohol;2-Methyl-3-hexanol;2-Methyl-3-hexyl alcohol;5-Methyl-4-hexanol;NSC 91501;
PSA 20.23000
LogP 1.80340

3-Hexanol, 2-methyl- 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

Product Name

2-METHYL-3-HEXANOL

3-Hexanol, 2-methyl- Specification

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