2,4,5-Trimethylbenzoic acid - CAS 528-90-5
Catalog: |
BB027975 |
Product Name: |
2,4,5-Trimethylbenzoic acid |
CAS: |
528-90-5 |
Synonyms: |
2,4,5-trimethylbenzoic acid |
IUPAC Name: | 2,4,5-trimethylbenzoic acid |
Description: | 2,4,5-Trimethylbenzoic acid (CAS# 528-90-5) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)C)C |
InChI: | InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12) |
InChI Key: | QENJZWZWAWWESF-UHFFFAOYSA-N |
Boiling Point: | 303.7 °C at 760 mmHg |
Melting Point: | 150-153 °C |
Purity: | 95 % |
Density: | 1.088 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00075863 |
LogP: | 2.31000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185437-A | Preparation method of triphenyl sulfonium salt containing annular anion structure | 20210409 |
CN-111925427-A | Application of rice OsT5H gene as negative regulatory factor in promoting rice thrombosis | 20200903 |
RU-2715001-C2 | Thickener of aqueous solution of acid and / or salt, method of thickening aqueous solution of acid and / or salt and method of oil production using said thickener, set of components for thickening of aqueous solution of acid and / or salt and composition for implementation of acid hydraulic fracturing of formation, including said thickener | 20190729 |
CN-109970551-A | A kind of preparation method of neighbour's methyl aryl formic acid derivates | 20190415 |
CN-109970551-B | Preparation method of o-methyl aryl formic acid derivative | 20190415 |
PMID | Publication Date | Title | Journal |
11218043 | 20010101 | The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats | Archives of toxicology |
Complexity: | 177 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS