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CAS 104-15-4 p-Toluenesulfonic acid molecular structure lightbox
CAS RN: 104-15-4

p-Toluenesulfonic acid

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 100ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250209 500ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 100ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260316 250ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 5g / 25g / 100g / 500g Confirm by inquiry Shandong 1 business days Inquiry
  • Product code: SSC-005717
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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: 500g
  • Available purity: ≥95%
  • 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 104-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

104-15-4 / 4-methylbenzenesulfonic acid

4-Methylbenzenesulfonic acid | P-TOLUENESULFONIC ACID | 4-Toluenesulfonic acid

Standard CAS: 104-15-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-15-4
Multi CAS
Yes
Molecular Formula
C7H8O3S
Molecular Weight
172.200000
Exact Mass
172.019415
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
JOXIMZWYDAKGHI-UHFFFAOYSA-N
Synonyms
4-Methylbenzenesulfonic acid P-TOLUENESULFONIC ACID 4-Toluenesulfonic acid p-Toluenesulphonic acid Tosic acid

Physical Properties

Melting Point
221 °F (USCG, 1999) 106-107 °C 106-107 °C /ANHYDROUS/ MELTING POINT: 38 °C /METASTABLE FORM/ Melting point = 106 °C /monohydrate/; 93 °C /trihydrate/
Boiling Point
140 °C @ 20 MM HG Boiling point = 38 °C
Density
1.45 at 77 °F (USCG, 1999) - Denser than water; will sink Relative density (water = 1): 1.24
Physical Description
Toluene sulfonic acid, liquid, with more than 5% free sulfuric acid appears as colorless to black solid. Odorless or nearly odorless. (USCG, 1999) Dry Powder; Liquid; Pellets or Large Crystals, Liquid Colorless hygroscopic solid; [ICSC] Colorless to black solid with no or little odor; [CHRIS] Off-white crystals; COLOURLESS HYGROSCOPIC FLAKES.
Appearance
MONOCLINIC LEAFLETS OR PRISMS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.99
TPSA
54.37

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.7
Consensus LogP
1.34
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.89

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

Safety & Transport

Pictogram(s)
Irritant Corrosive Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H314 (42.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (62.1%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P330, P363, P405, and P501
Hazard Class/Division
8
Packing Group
III

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