m-Toluic acid - CAS 99-04-7
Catalog: |
BB042245 |
Product Name: |
m-Toluic acid |
CAS: |
99-04-7 |
Synonyms: |
3-methylbenzoic acid |
IUPAC Name: | 3-methylbenzoic acid |
Description: | m-Toluic acid (CAS# 99-04-7) is a useful research chemical. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | CC1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) |
InChI Key: | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
Boiling Point: | 263 °C |
Melting Point: | 108-112 °C |
Purity: | 95 % |
Density: | 1.054 g/cm3 |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | Off-white crystalline solid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002523 |
LogP: | 1.69320 |
Vapor Pressure: | 1 mmHg at 207 °F |
GHS Hazard Statement: | H302 (52.17%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461510-A | Aromatic acid compound and preparation method thereof | 20210804 |
CN-113480433-A | Preparation method of 3-methyl-4-nitrobenzoic acid | 20210727 |
CN-113307733-A | Production method of o-methylbenzoic acid or m-methylbenzoic acid | 20210708 |
CN-113318471-A | Method and system for treating xylene oxidation reaction liquid | 20210708 |
CN-113501754-A | Method for treating o-xylene or m-xylene oxidation reaction liquid | 20210708 |
PMID | Publication Date | Title | Journal |
22845424 | 20121001 | Stochasticity of TOL plasmid catabolic promoters sets a bimodal expression regime in Pseudomonas putida mt-2 exposed to m-xylene | Molecular microbiology |
22969457 | 20120901 | Bis(2,2'-bipyridine-κ(2)N,N')(3-methyl-benzoato-κ(2)O,O')zinc 3-methyl-benzo-ate-3-methyl-benzoic acid-water (1/1/2) | Acta crystallographica. Section E, Structure reports online |
22588473 | 20120706 | Broadening the signal specificity of prokaryotic promoters by modifying cis-regulatory elements associated with a single transcription factor | Molecular bioSystems |
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 |
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: | 2.4 |
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