2,4-Dimethylbenzoic acid - CAS 611-01-8
Catalog: |
BB030949 |
Product Name: |
2,4-Dimethylbenzoic acid |
CAS: |
611-01-8 |
Synonyms: |
2,4-dimethylbenzoic acid |
IUPAC Name: | 2,4-dimethylbenzoic acid |
Description: | 2,4-Dimethylbenzoic acid (CAS# 611-01-8) is a useful research chemical. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C(=O)O)C |
InChI: | InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11) |
InChI Key: | BKYWPNROPGQIFZ-UHFFFAOYSA-N |
Boiling Point: | 267 °C (727 mmHg) |
Purity: | 98 % |
Density: | 267727 |
Appearance: | White crystalline powder |
MDL: | MFCD00002480 |
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-113501807-A | Tetrahydrobenzothiophene compound, and preparation method and application of pharmaceutical composition | 20210610 |
CN-113149833-A | Purification method of alkylbenzoic acid | 20210310 |
CN-112619445-A | Novel Polymer-COF-MOF composite film and preparation method thereof | 20201230 |
WO-2021193372-A1 | Stabilizer composition of vinyl chloride-based resin for foam molding, vinyl chloride-based resin composition for foam molding containing same, and foam-molded article thereof | 20200327 |
CN-111170868-A | Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid | 20200109 |
PMID | Publication Date | Title | Journal |
18391390 | 20080401 | Conformation of hydrogen-bonded dimeric o-methyl-substituted benzoic acids | Acta crystallographica. Section C, Crystal structure communications |
15446714 | 20040701 | Identification by gas chromatography-mass spectrometry of the volatile organic compounds emitted from the wood-rotting fungi Serpula lacrymans and Coniophora puteana, and from Pinus sylvestris timber | Mycological research |
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: | 2.8 |
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