CAS No.3730-60-7,2,5-DIMETHYL-2-HEXANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3730-60-7
Name:	2,5-DIMETHYL-2-HEXANOL
Article Data:	15

Formula:	C₈H₁₈O
Molecular Weight:	130.23
Synonyms:	2,5-Dimethyl-2-hexanol;NSC 5594;2-Hexanol, 2,5-dimethyl-, (S)-;2,5-dimethyl-hexan-2-ol;Dimethyl isoamyl carbinol;
EINECS:	223-085-8
Density:	0.821 g/cm³
Melting Point:	-61.15°C (estimate)
Boiling Point:	157.9 °C at 760 mmHg
Flash Point:	56.6 °C
Hazard Symbols:	R10:Flammable.;
Risk Codes:	10
Safety:	23-36/37/39
Transport Information:	1987
PSA:	20.23000
LogP:	2.19350

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Specification

The CAS register number of 2-Hexanol,2,5-dimethyl- is 3730-60-7. It also can be called as Dimethyl isoamyl carbinol and the systematic name about this chemical is 2,5-dimethylhexan-2-ol. The molecular formula about this chemical is C₈H₁₈O and the molecular weight is 130.23. This chemical is flammable. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe vapour.

Physical properties about 2-Hexanol,2,5-dimethyl- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 42.92; (5)ACD/BCF (pH 7.4): 42.92; (6)ACD/KOC (pH 5.5): 513.17; (7)ACD/KOC (pH 7.4): 513.17; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 40.57 cm³; (14)Molar Volume: 158.5 cm³; (15)Polarizability: 16.08x10^-24cm³; (16)Surface Tension: 26.4 dyne/cm; (17)Density: 0.821 g/cm³; (18)Flash Point: 56.6 °C; (19)Enthalpy of Vaporization: 45.95 kJ/mol; (20)Boiling Point: 157.9 °C at 760 mmHg; (21)Vapour Pressure: 0.961 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(C)CCC(C)C
(2)InChI: InChI=1/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
(3)InChIKey: JPUIYNHIEXIFMV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
(5)Std. InChIKey: JPUIYNHIEXIFMV-UHFFFAOYSA-N