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Atomfair o-Toluic Acid C8H8O2 CAS 118-90-1

o-Toluic Acid (CAS 118-90-1) is a high-purity aromatic carboxylic acid with the molecular formula C8H8O2and IUPAC name 2-methylbenzoic acid . This white crystalline solid is a key intermediate in organic synthesis, offering exceptional reactivity due to the carboxyl group adjacent to the methyl substituent on the benzene ring. Our pharmaceutical-grade o-Toluic Acid is synthesized under stringent GMP conditions, with HPLC purity ≥99.5% and low heavy metal content (<10 ppm). Ideal for nucleophilic substitution, esterification, and coordination chemistry applications. Packaged in amber glass bottles or poly-coated drums with nitrogen blanket to prevent oxidation. SDS and CoA available upon request.

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Description

o-Toluic Acid (CAS 118-90-1) is a high-purity aromatic carboxylic acid with the molecular formula C8H8O2 and IUPAC name 2-methylbenzoic acid. This white crystalline solid is a key intermediate in organic synthesis, offering exceptional reactivity due to the carboxyl group adjacent to the methyl substituent on the benzene ring. Our pharmaceutical-grade o-Toluic Acid is synthesized under stringent GMP conditions, with HPLC purity ≥99.5% and low heavy metal content (<10 ppm). Ideal for nucleophilic substitution, esterification, and coordination chemistry applications. Packaged in amber glass bottles or poly-coated drums with nitrogen blanket to prevent oxidation. SDS and CoA available upon request.

Properties

  • CAS Number: 118-90-1
  • Complexity: 131
  • IUPAC Name: 2-methylbenzoic acid
  • InChI: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
  • InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N
  • LogP: 2.46
  • Exact Mass: 136.052429494
  • Molecular Formula: C8H8O2
  • Molecular Weight: 136.15
  • SMILES: CC1=CC=CC=C1C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 136.052429494
  • Physical Description: O-toluic acid appears as pale yellow crystals or off-white flaky solid.
  • Boiling Point: 496 to 498 °F at 760 mmHg
  • Melting Point: 225 to 226 °F
  • Solubility: less than 1 mg/mL at 66 °F
  • Density: 1.062 at 239 °F – Denser than water; will sink
  • Synonyms: O-TOLUIC ACID, o-Toluylic acid, 2-Toluic acid, Orthotoluic acid, o-Methylbenzoic acid, ortho-toluic acid, NSC 2193, EINECS 204-284-9, UNII-9NR3033Y0U, BRN 1072103, CHEBI:36632, AI3-15625, 9NR3033Y0U, NSC-2193, TOLUIC ACID, O-, 204-284-9, 2-Methylbenzoic acid, 118-90-1, Toluic acid, Benzoic acid, 2-methyl-, Benzoic acid, methyl-, 2-Methyl-Benzoic Acid, o-Toluate, o-Methylbenzoate, 2-Benzoate, 2-Methyl benzoic acid, MFCD00002477, 25567-10-6, DTXSID6026161, o-ToluicAcid-13C2, 2-Methylbenzoicacid, orthotoluate, O-Toluylate, methylbenzoic acid, 2-Benzoic acid, 2-methyl benzoate, 2-methyl-benzoate, 3SK, o-Toluic acid, 99%, Ortho methyl benzoic acid, bmse000557, SCHEMBL4152, WLN: QVR B1, O-TOLUIC ACID [MI], SCHEMBL49951, METHYL,(BENZOYLOXY)-, MLS002152917, BENZOIC ACID,2-METHYL, SCHEMBL142530, SCHEMBL753675, CHEMBL114957, DTXCID006161, SCHEMBL1899738, SCHEMBL2550138, SCHEMBL2553639, SCHEMBL5576097, SCHEMBL8730260, SCHEMBL10444025, UNII-I889W3548N, NSC2193, HMS3039K11, HMS5085K10, EINECS 247-107-0, Tox21_200086, s6217, SBB040521, STK498487, AKOS000119477, AC-5963, CS-W020111, FT34624, I889W3548N, NCGC00090891-01, NCGC00090891-02, NCGC00257640-01, AS-10809, CAS-118-90-1, HY-41494, SMR001224517, SY008811, DB-265507, o-Toluic acid, puriss., >=99.5% (T), NS00009693, ST50213875, T0292, EN300-21374, C07215, D77873, AB-131/40195545, Q3291707, 2-Methylbenzoic acid; o-Methylbenzoate; o-Toluylic acid, F2191-0132, Z104495626, 2-Methylbenzoic acid ; o-Methylbenzoate ; o-Toluylic acid, InChI=1/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10, 442197-98-0

Application

o-Toluic Acid serves as a versatile building block in pharmaceutical synthesis, particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and antifungal agents. It acts as a precursor for advanced liquid crystal materials and agrochemicals due to its stable aromatic core. Researchers utilize its carboxyl group for peptide coupling reactions and metal-organic framework (MOF) construction.

Safety and Hazards

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 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

Hazard Classes and Categories

  • Acute Tox. 4 (11.4%)
  • Skin Irrit. 2 (74.1%)
  • Eye Irrit. 2A (74.7%)
  • STOT SE 3 (73.4%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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