2,6-Dimethylbenzoic acid - CAS 632-46-2
Catalog: |
BB032075 |
Product Name: |
2,6-Dimethylbenzoic acid |
CAS: |
632-46-2 |
Synonyms: |
2,6-dimethylbenzoic acid |
IUPAC Name: | 2,6-dimethylbenzoic acid |
Description: | Benzoic acid derivative used in the preparation of antiinflammatory and antirheumatic agents. A potential geothermal tracer. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=C(C(=CC=C1)C)C(=O)O |
InChI: | InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) |
InChI Key: | HCBHQDKBSKYGCK-UHFFFAOYSA-N |
Boiling Point: | 272.765 °C at 760 mmHg |
Melting Point: | 114-117 °C |
Purity: | 95 % |
Density: | 1.116 g/cm3 |
Appearance: | White to pale cream crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002483 |
LogP: | 2.00160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620832-A | Multi-substituted oxazoline compound and preparation method thereof | 20200716 |
CN-111574472-A | Synthesis method of 1, 2-benzisothiazolin-3-ketone compound | 20200630 |
US-2021323996-A1 | Compositions and methods for profiling of gut microbiota-associated bile salt hydrolase (bsh) activity | 20200417 |
WO-2021205296-A1 | Method of treating covid-19 | 20200405 |
JP-2021151996-A | Pharmaceutical composition containing a phenylacetic acid compound | 20200319 |
PMID | Publication Date | Title | Journal |
12974392 | 20030801 | Novel cell-permeable acyloxymethylketone inhibitors of asparaginyl endopeptidase | Biological chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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