CAS RN: 25498-49-1
Tripropylene Glycol Monomethyl Ether (mixture of isomer)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTT0651
- Purity/Analytical Methods: >93.0%(GC)
25498-49-1 / 2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
Basic Information
CAS
25498-49-1
Multi CAS
No
Molecular Formula
C10H22O4
Molecular Weight
206.280000
Exact Mass
206.151809
SMILES
CC(CO)OCC(C)OCC(C)OC
InChI
InChI=1S/C10H22O4/c1-8(5-11)13-7-10(3)14-6-9(2)12-4/h8-11H,5-7H2,1-4H3
InChIKey
WAEVWDZKMBQDEJ-UHFFFAOYSA-N
Physical Properties
Melting Point
-110 °F (USCG, 1999)
-77.8 °C
Boiling Point
468 °F at 760 mmHg (USCG, 1999)
243 °C
Density
0.965 (USCG, 1999) - Less dense than water; will float
0.97 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Physical Description
Tripropylene glycol methyl ether is a colorless liquid with a mild odor. (USCG, 1999)
Colorless liquid with a mild odor; [CHRIS] Odor of ether;
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.38
TPSA
47.92
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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