Basic information
- Name:
Di(trimethylol propane)
- CAS No.:
23235-61-2
- Molecular Structure:
- Formula:
- C12H26O5
- Molecular Weight:
- 250.33
- Synonyms:
- 1,3-Propanediol,2,2'-(oxydimethylene)bis[2-ethyl- (8CI);2,2'-(Oxydimethylene)bis(2-ethyl-1,3-propanediol);3,3,7,7-Tetrakis(hydroxymethyl)-5-oxanonane;Bis(1,1-dimethylolpropyl)dimethylether;Bistrimethylolpropane;1,3-Propanediol,2,2'-[oxybis(methylene)]bis[2-ethyl-;
- EINECS:
- 245-509-0
- Density:
- 1.122 g/cm3
- Melting Point:
- 108-111 °C(lit.)
- Boiling Point:
- 435.6 °C at 760 mmHg
- Flash Point:
- 217.2 °C
- Safety Description:
- 22-24/25 Details
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Chemistry
Molecule structure of Di(trimethylol propane) (CAS NO.23235-61-2):
IUPAC Name: 2-[2,2-Bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol
Molecular Weight: 250.33184 g/mol
Molecular Formula: C12H26O5
Density: 1.122 g/cm3
Melting Point: 108-111 °C(lit.)
Boiling Point: 435.6 °C at 760 mmHg
Flash Point: 217.2 °C
Index of Refraction: 1.498
Molar Refractivity: 65.45 cm3
Molar Volume: 223 cm3
Surface Tension: 47.7 dyne/cm
Enthalpy of Vaporization: 79.87 kJ/mol
Vapour Pressure: 2.05E-09 mmHg at 25 °C
XLogP3-AA: -0.6
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 10
Exact Mass: 250.178024
MonoIsotopic Mass: 250.178024
Topological Polar Surface Area: 90.2
Heavy Atom Count: 17
Canonical SMILES: CCC(CO)(CO)COCC(CC)(CO)CO
InChI: InChI=1S/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3
InChIKey: WMYINDVYGQKYMI-UHFFFAOYSA-N
EINECS of Di(trimethylol propane) (CAS NO.23235-61-2): 245-509-0
Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
Di(trimethylol propane) (CAS NO.23235-61-2) is also named as 1,3-propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- ; 2,2'-(Oxybis(methylene))bis(2-ethylpropane-1,3-diol) ; 2,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol) ; 2,2'-[Oxybis(methylene)]bis(2-ethylpropane-1,3-diol) ; 2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol] ; Ditrimethylolpropane .