CAS RN: 80-40-0
Ethyl p-Toluenesulfonate
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260517 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250816 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260110 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260630 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20251023 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260610 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260330 | 1kg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251222 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250711 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250301 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250921 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-188997
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
80-40-0 / ethyl 4-methylbenzenesulfonate
Basic Information
CAS
80-40-0
Multi CAS
Yes
Molecular Formula
C9H12O3S
Molecular Weight
200.260000
Exact Mass
200.050715
InChI
InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
VRZVPALEJCLXPR-UHFFFAOYSA-N
Physical Properties
Melting Point
33 °C
Boiling Point
173 °C @ 15 MM HG
Density
1.17
Physical Description
Unstable solid; mp = 33 deg C; [Hawley] White solid; mp = 32-34 deg C
Appearance
MONOCLINIC CRYSTALS
MONOCLINIC PRISMS FROM ACETIC ACID, ETHYL ACETATE
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.99
TPSA
43.37
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.72
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
