CAS RN: 112-49-2
Triethylene Glycol Dimethyl Ether (stabilized with BHT)
- Product code: SSC-012493
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g, 500g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
112-49-2 / 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
Triglyme | 2,5,8,11-TETRAOXADODECANE | Triethylene glycol dimethyl ether
Basic Information
CAS
112-49-2
Multi CAS
Yes
Molecular Formula
C8H18O4
Molecular Weight
178.230000
Exact Mass
178.120509
SMILES
COCCOCCOCCOC
InChI
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChIKey
YFNKIDBQEZZDLK-UHFFFAOYSA-N
Synonyms
Triglyme
2,5,8,11-TETRAOXADODECANE
Triethylene glycol dimethyl ether
1,2-Bis(2-methoxyethoxy)ethane
Glyme 4
Physical Properties
Melting Point
-49 °F (NTP, 1992)
-45 °C
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
216 °C
Density
0.99 at 68 °F (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.99
Physical Description
Triethylene glycol dimethyl ether is a clear colorless liquid with a mild ethereal odor. (NTP, 1992)
Liquid
Liquid; [Merck Index] Colorless liquid; [ICSC] Hygroscopic;
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
45.39
TPSA
36.92
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
-0.5
Consensus LogP
0.03
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Irritant
Signal
Danger
Warning
GHS Hazard Statements
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
H319 (22.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H360 (99%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501
