o-Toluic acid - CAS 118-90-1
Catalog: |
BB004328 |
Product Name: |
o-Toluic acid |
CAS: |
118-90-1 |
Synonyms: |
2-methylbenzoic acid |
IUPAC Name: | 2-methylbenzoic acid |
Description: | o-Toluic acid (CAS# 118-90-1) is a useful research chemical. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical 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) |
InChI Key: | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
Boiling Point: | 258-259 °C |
Melting Point: | 225 to 226 °F |
Density: | 1.062 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | O-toluic acid appears as pale yellow crystals or off-white flaky solid |
MDL: | MFCD00002477 |
LogP: | 1.69320 |
GHS Hazard Statement: | H302 (15.25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210116363-A | Biodegradable container and manufacturing method thereof | 20210831 |
CN-113461510-A | Aromatic acid compound and preparation method thereof | 20210804 |
KR-20210111185-A | Biodegradable resin composition, biodegradable molded articles using same, and preperation method thereof | 20210730 |
KR-20210111186-A | Biodegradable resin composition, biodegradable film and biodegradable articles using same | 20210730 |
CN-113307733-A | Production method of o-methylbenzoic acid or m-methylbenzoic acid | 20210708 |
PMID | Publication Date | Title | Journal |
22939296 | 20120901 | The prescription drug abuse epidemic | Clinics in laboratory medicine |
22784295 | 20120816 | Heat capacity behavior and structure of alkan-1-ol/alkylbenzoate binary solvents | The journal of physical chemistry. B |
22446760 | 20120615 | Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22345641 | 20120501 | Regulators of floral fragrance production and their target genes in petunia are not exclusively active in the epidermal cells of petals | Journal of experimental botany |
22451532 | 20120501 | Simultaneous determination of nine related substances in p-phthalic acid residue by RP-HPLC | Journal of chromatographic science |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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