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
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
112-73-2 / 1-[2-(2-butoxyethoxy)ethoxy]butane
DIETHYLENE GLYCOL DIBUTYL ETHER | Bis(2-butoxyethyl) ether | Dibutyl carbitol
Basic Information
CAS
112-73-2
Multi CAS
Yes
Molecular Formula
C12H26O3
Molecular Weight
218.330000
Exact Mass
218.188195
SMILES
CCCCOCCOCCOCCCC
InChI
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
InChIKey
KZVBBTZJMSWGTK-UHFFFAOYSA-N
Synonyms
DIETHYLENE GLYCOL DIBUTYL ETHER
Bis(2-butoxyethyl) ether
Dibutyl carbitol
Butyl diglyme
5,8,11-Trioxapentadecane
Physical Properties
Melting Point
-76 °F (NTP, 1992)
Boiling Point
493 °F at 760 mmHg (NTP, 1992)
Density
0.885 (USCG, 1999) - Less dense than water; will float
Physical Description
Diethylene glycol dibutyl ether is a colorless liquid. Floats on water. (USCG, 1999)
Liquid
Colorless liquid that floats on water; [CAMEO]
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
62.27
TPSA
27.69
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.29
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 192 of 203 companies (only 5.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
