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CAS 104-66-5 Ethylene Glycol Diphenyl Ether molecular structure lightbox
CAS RN: 104-66-5

Ethylene Glycol Diphenyl Ether

  • Product code: SSC-005741
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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: 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

104-66-5 / 2-phenoxyethoxybenzene

1,2-DIPHENOXYETHANE | Ethylene glycol diphenyl ether | Ethane, 1,2-diphenoxy-

Standard CAS: 104-66-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-66-5
Multi CAS
Yes
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
SMILES
C1=CC=C(C=C1)OCCOC2=CC=CC=C2
InChI
InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
XCSGHNKDXGYELG-UHFFFAOYSA-N
Synonyms
1,2-DIPHENOXYETHANE Ethylene glycol diphenyl ether Ethane, 1,2-diphenoxy- 2-Phenoxyethyl phenyl ether Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-

Physical Properties

Physical Description
Dry Powder Off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
63.87
TPSA
18.46

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.8
Consensus LogP
3.24
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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