Methyl 3,4-Dimethylbenzoate - CAS 38404-42-1
Catalog: |
BB023663 |
Product Name: |
Methyl 3,4-Dimethylbenzoate |
CAS: |
38404-42-1 |
Synonyms: |
3,4-dimethylbenzoic acid methyl ester; methyl 3,4-dimethylbenzoate |
IUPAC Name: | methyl 3,4-dimethylbenzoate |
Description: | Methyl 3,4-Dimethylbenzoate (CAS# 38404-42-1) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)OC)C |
InChI: | InChI=1S/C10H12O2/c1-7-4-5-9(6-8(7)2)10(11)12-3/h4-6H,1-3H3 |
InChI Key: | PTSSKYUSCIALKU-UHFFFAOYSA-N |
Boiling Point: | 244.2 ℃ at 760 mmHg |
Density: | 1.027 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00219861 |
LogP: | 2.09000 |
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-113244942-A | Non-metal nitrogen-doped porous carbon catalyst and method for preparing methyl carboxylate compound | 20210427 |
EP-3815861-A1 | Razor cartridge | 20191031 |
WO-2021084069-A1 | Razor cartridge | 20191031 |
WO-2020109543-A2 | Razor cartridge | 20181130 |
EP-3887102-A2 | Razor cartridge | 20181130 |
PMID | Publication Date | Title | Journal |
18225893 | 20080317 | Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III) | Inorganic chemistry |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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