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| CAS No.: | 55934-93-5 |
|---|---|
| Name: | TRI(PROPYLENE GLYCOL) BUTYL ETHER |
| Molecular Structure: | |
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| Formula: | C13H28O4 |
| Molecular Weight: | 248.36 |
| Synonyms: | 2-(2-Butoxymethylethoxy)methylethoxy)propanol;Dowanol TPnB;Tripropylene glycol monobutyl ether;Tripropylene glycol n-butylether;Tripropyleneglycol butyl ether;1-({1-[(1-Butoxypropan-2-yl)oxy]propan-2-yl}oxy)propan-1-ol;1-propanol, 1-[2-(2-butoxy-1-methylethoxy)-1-methylethoxy]-; |
| EINECS: | 259-910-3 |
| Density: | 0.952 g/cm3 |
| Melting Point: | -75 °C(lit.) |
| Boiling Point: | 282.8 °C at 760 mmHg |
| Flash Point: | 124.8 °C |
| Solubility: | 40.2g/L at 20℃ |
| Safety: | 23-24/25 |
| PSA: | 47.92000 |
| LogP: | 1.99890 |
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Specification
The Tripropylene Glycol Normal Butyl Ether, with the CAS registry number 55934-93-5 and EINECS registry number 259-910-3, has the systematic name of 1-[2-(2-butoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol. It belongs to the following product categories: Propylene Glycol Oligomers; Ethers; Hydrophobic Polymers. And the molecular formula of the chemical is C13H28O4. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Tripropylene Glycol Normal Butyl Ether are as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.71; (6)ACD/BCF (pH 7.4): 15.71; (7)ACD/KOC (pH 5.5): 249.98; (8)ACD/KOC (pH 7.4): 249.98; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 47.92 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 68.92 cm3; (15)Molar Volume: 260.8 cm3; (16)Polarizability: 27.32×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.952 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 60.55 kJ/mol; (21)Boiling Point: 282.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000385 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(CC)OC(C)COC(C)COCCCC
(2)InChI: InChI=1/C13H28O4/c1-5-7-8-15-9-11(3)16-10-12(4)17-13(14)6-2/h11-14H,5-10H2,1-4H3
(3)InChIKey: ZIMJLRMRJIBBBN-UHFFFAOYAR