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8043-29-6

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Basic Information
CAS No.: 8043-29-6
Name: propane-1,2,3-triol
Molecular Structure:
Molecular Structure of 8043-29-6 (propane-1,2,3-triol)
Formula: C3H8O3
Molecular Weight: 92.09382
Synonyms: Refined Glycerine
Density: 1.298 g/cm3
Boiling Point: 289.999 °C at 760 mmHg
Flash Point: 160 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The IUPAC name of Tegin M is propane-1,2,3-triol. With the CAS registry number 8043-29-6, it is also named as 1,2,3-Propanetriol. Additionally, this chemical should be sealed in the container and avoided direct sunshine.

The other characteristics of Tegin M can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 2.347; (4)ACD/KOC (pH 7.4): 2.347; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.49; (9)Molar Refractivity: 20.511 cm3; (10)Molar Volume: 70.95 cm3; (11)Polarizability: 8.131×10-24 cm3; (12)Surface Tension: 61.991 dyne/cm; (13)Enthalpy of Vaporization: 61.422 kJ/mol; (14)Boiling Point: 289.999 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 92.047344; (18)MonoIsotopic Mass: 92.047344; (19)Topological Polar Surface Area: 60.7; (20)Heavy Atom Count: 6; (21)Complexity: 25.2.

People can use the following data to convert to the molecule structure.
1. SMILES:C(C(CO)O)O
2. InChI:InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
3. InChIKey:PEDCQBHIVMGVHV-UHFFFAOYAF