CAS No.2612-28-4,2-N-PROPYLPROPANE-1,3-DIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2612-28-4
Name:	2-N-PROPYLPROPANE-1,3-DIOL

Formula:	C₆H₁₄O₂
Molecular Weight:	118.176
Synonyms:	2-Propyl-1,3-propanediol;
Density:	0.961 g/cm³
Melting Point:	26.38°C (estimate)
Boiling Point:	230 °C at 760 mmHg
Flash Point:	107.3 °C
Risk Codes:	20/21-65
Safety:	23-36/37/39
PSA:	40.46000
LogP:	0.38730

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Specification

This chemical is called 2-n-Propyl-1,3-propanediol, and its systematic name is 2-propylpropane-1,3-diol. With the CAS registry number of 2612-28-4, its product category is Propanes/propenes. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the 2-n-Propyl-1,3-propanediol can be summarised as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 37.88; (8)ACD/KOC (pH 7.4): 37.88; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 32.87 cm³; (15)Molar Volume: 122.9 cm³; (16)Polarizability: 13.03×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 107.3 °C; (20)Enthalpy of Vaporization: 54.24 kJ/mol; (21)Boiling Point: 230 °C at 760 mmHg; (22)Vapour Pressure: 0.0129 mmHg at 25°C.

Production method of this chemical: The 2-n-Propyl-1,3-propanediol could be obtained by the reactant of propylmalonic acid diethyl ester. This reaction needs the reagents of sodium and ethanol.

Uses of this chemical: The 2-n-Propyl-1,3-propanediol could react with 1-bromomethyl-4-methoxy-benzene, and obtain the 2-(4-methoxy-benzyloxymethyl)-pentan-1-ol. This reaction needs the reagents of NaH, tetrabutylammonium iodide, and the solvent of tetrahydrofuran. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation and in contacting with skin. It may cause lung damage if swallowed. Do not breathe vapour. Wear suitable protective clothing, gloves and eye/face protection if you use it.

You can still convert the following datas into molecular structure:
1.SMILES: OCC(CCC)CO
2.InChI: InChI=1/C6H14O2/c1-2-3-6(4-7)5-8/h6-8H,2-5H2,1H3
3.InChIKey: FZHZPYGRGQZBCV-UHFFFAOYAO