3,4-Dimethylbenzoic acid - CAS 619-04-5
Catalog: |
BB031317 |
Product Name: |
3,4-Dimethylbenzoic acid |
CAS: |
619-04-5 |
Synonyms: |
3,4-dimethylbenzoic acid |
IUPAC Name: | 3,4-dimethylbenzoic acid |
Description: | 3,4-Dimethylbenzoic acid (CAS# 619-04-5) is a useful research chemical. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)C |
InChI: | InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | OPVAJFQBSDUNQA-UHFFFAOYSA-N |
Boiling Point: | 294.6 °C at 760 mmHg |
Melting Point: | 164-168 °C |
Purity: | 95 % |
Density: | 1.116 g/cm3 |
Appearance: | White to beige crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002524 |
LogP: | 2.00160 |
GHS Hazard Statement: | H302 (14.29%): 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 |
CN-113149833-A | Purification method of alkylbenzoic acid | 20210310 |
JP-6830562-B1 | Manufacturing method of Mg-containing particles | 20201023 |
CN-112209876-A | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 20201015 |
CN-112661765-A | Tetrahydro-desmethylthebaine derivative and its preparing process and application | 20201012 |
CN-111662265-A | Synthetic method of 5, 6-dimethylxanthenone-4-acetic acid | 20200619 |
PMID | Publication Date | Title | Journal |
19540509 | 20090901 | Small-angle neutron scattering study of shearing effects on drag-reducing surfactant solutions | Journal of colloid and interface science |
12529882 | 20030320 | Use of the two-liquid phase concept to exploit kinetically controlled multistep biocatalysis | Biotechnology and bioengineering |
12446040 | 20021001 | An improved synthesis of 5,6-dimethylxanthenone-4-acetic acid (DMXAA) | European journal of medicinal chemistry |
12038862 | 20020101 | Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats | International journal of occupational medicine and environmental health |
Complexity: | 154 |
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: | 2.7 |
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