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CAS 99-94-5 p-Toluic Acid molecular structure lightbox
CAS RN: 99-94-5

p-Toluic Acid

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 2g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-212957
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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: 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 99-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
500g ≥98% 3 In Stock Beijing Inquiry
1000g ≥98% 2 In Stock Shenzhen Inquiry

99-94-5 / 4-methylbenzoic acid

Standard CAS: 99-94-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99-94-5
Multi CAS
Yes
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
InChI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-N

Physical Properties

Melting Point
356 to 360 °F (NTP, 1992) 181 °C
Boiling Point
525 to 527 °F at 760 mmHg (NTP, 1992)
Physical Description
P-toluic acid is a white powder. Sublimes. (NTP, 1992) Other Solid; Dry Powder White solid; [CAMEO] White to yellow-brown solid; [OECD SIDS] White powder; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.14
TPSA
37.3

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
2.3
Consensus LogP
1.82
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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