4-Methoxy-3-methylbenzoic acid - CAS 6880-04-2
Catalog: |
BB033633 |
Product Name: |
4-Methoxy-3-methylbenzoic acid |
CAS: |
6880-04-2 |
Synonyms: |
Benzoic acid, 4-methoxy-3-methyl-; Anisic acid, 3-methyl-; p-Anisic acid, 3-methyl-; 3-Methyl-4-methoxybenzoic acid |
IUPAC Name: | 4-methoxy-3-methylbenzoic acid |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)OC |
InChI: | InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | DNMUMZLKDOZMEY-UHFFFAOYSA-N |
Boiling Point: | 285.3±20.0°C at 760 mmHg |
Melting Point: | 199-200°C |
Purity: | ≥95% |
Density: | 1.168±0.06 g/cm3 |
Appearance: | White to Light Yellow Powder to Crystaline |
Storage: | Store at RT |
MDL: | MFCD00270114 |
LogP: | 1.70180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109232334-A | A kind of synthetic method of methylthiomethyl esters | 20180930 |
CN-109748780-A | The synthetic method of a kind of four poly- benzyl compounds | 20171102 |
CN-109748780-B | Synthetic method of tetrapolybenzyl compounds | 20171102 |
US-2019367457-A1 | Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors | 20161230 |
WO-2018125983-A1 | Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors | 20161230 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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