[email protected]
CAS 80-48-8 Methyl p-Toluenesulfonate molecular structure lightbox
CAS RN: 80-48-8

Methyl p-Toluenesulfonate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260619 100g In stock Inquiry
Batchno.20250813 25g In stock Inquiry
Batchno.20250428 500g In stock Inquiry
Batchno.20250602 5kg In stock Inquiry
  • Product code: SSC-189002
GET A QUOTE
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: 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 5 In Stock Hong Kong Inquiry
1000g >98% 4 In Stock Hong Kong Inquiry

80-48-8 / methyl 4-methylbenzenesulfonate

Standard CAS: 80-48-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80-48-8
Multi CAS
Yes
Molecular Formula
C8H10O3S
Molecular Weight
186.230000
Exact Mass
186.035065
InChI
InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey
VUQUOGPMUUJORT-UHFFFAOYSA-N

Physical Properties

Melting Point
28-29 °C
Boiling Point
292 °C @ 760 MM HG
Density
1.230 @ 25 DEG/25 °C
Physical Description
Other Solid White vesicant solid; Solidifies at 24 deg C; [Hawley] White or light brown solid; mp = 28-29 deg C; [HSDB] Off-white low melting solid or clear liquid; mp = 27-28 deg C
Appearance
MONOCLINIC LEAFLETS OR PRISMS FROM ETHER-PETROLEUM ETHER LIGHT BROWN CRYSTALS WHITE DAMP CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.37
TPSA
43.37

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
2.2
Consensus LogP
1.57
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.91

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

Customers Also Viewed

Get In Touch

Contact Us