CAS RN: 118-90-1
o-Toluic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-017870
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: 3
- 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.
118-90-1 / 2-methylbenzoic acid
O-TOLUIC ACID | 2-Methylbenzoic acid | o-Toluylic acid
Basic Information
CAS
118-90-1
Multi CAS
Yes
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
SMILES
CC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Synonyms
O-TOLUIC ACID
2-Methylbenzoic acid
o-Toluylic acid
2-Toluic acid
o-Methylbenzoic acid
Physical Properties
Melting Point
225 to 226 °F (NTP, 1992)
103.7 °C
Boiling Point
496 to 498 °F at 760 mmHg (NTP, 1992)
Density
1.062 at 239 °F (NTP, 1992) - Denser than water; will sink
Physical Description
O-toluic acid appears as pale yellow crystals or off-white flaky solid. (NTP, 1992)
Pale yellow or off-white solid; [CAMEO] White to pale cream crystalline powder with an aromatic odor;
Solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)
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
2.5
Consensus LogP
1.89
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (74.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (74.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (73.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Applications of CAS 118-90-1
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 118-90-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 2-methylbenzoic acid |
Safety Information (GHS)
Pictogram(s): GHS07. Signal word: Warning.
- H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (74.1%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (74.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (73.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
