CAS RN: 102-40-9
1,3-Bis(2-hydroxyethoxy)benzene
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
- Product code: SSC-003180
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
102-40-9 / 2-[3-(2-hydroxyethoxy)phenoxy]ethanol
1,3-Bis(2-hydroxyethoxy)benzene | 2,2'-(m-Phenylenedioxy)diethanol | m-Bis(2-hydroxyethoxy)benzene
Basic Information
CAS
102-40-9
Multi CAS
Yes
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
SMILES
C1=CC(=CC(=C1)OCCO)OCCO
InChI
InChI=1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
InChIKey
IAXFZZHBFXRZMT-UHFFFAOYSA-N
Synonyms
1,3-Bis(2-hydroxyethoxy)benzene
2,2'-(m-Phenylenedioxy)diethanol
m-Bis(2-hydroxyethoxy)benzene
resorcinol bis(2-hydroxyethyl) ether
Ethanol, 2,2'-[1,3-phenylenebis(oxy)]bis-
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.6
TPSA
58.92
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
0.4
Consensus LogP
0.4
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (12.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
