2,3,5-Trimethylphenol - CAS 697-82-5
Catalog: |
BB033971 |
Product Name: |
2,3,5-Trimethylphenol |
CAS: |
697-82-5 |
Synonyms: |
6-Hydroxypseudocumene; Isopseudocumenol; NSC 5296; 1-Hydroxy-2,3,5-trimethylbenzene; Phenol, 2,3,5-trimethyl-; 3,5,6-Trimethylphenol |
Application: |
2,3,5-Trimethylphenol is a reagent used in the synthesis of antibiotics. Also used in the preparation of vitamin E synthesis. |
IUPAC Name: | 2,3,5-trimethylphenol |
Description: | 2,3,5-Trimethylphenol is used in the preparation of vitamin E synthesis. |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CC1=CC(=C(C(=C1)O)C)C |
InChI: | InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 |
InChI Key: | OGRAOKJKVGDSFR-UHFFFAOYSA-N |
Boiling Point: | 230.5°C |
Melting Point: | 93.5°C |
Purity: | 95% |
Density: | 0.996±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | White solid |
Storage: | Store at -20°C |
LogP: | 2.31740 |
GHS Hazard Statement: | H314 (38%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3842469-A1 | Material for forming organic film, method for forming organic film, patterning process, and compound | 20191226 |
US-10961208-B1 | Product of glycidyl ether of a mono or polyhydric phenol | 20191224 |
EP-3842466-A1 | Product of glycidyl ether of a mono or polyhydric phenol, epoxy resin composition, and process for producing product of glycidyl ether of a mono or polyhydric phenol | 20191224 |
WO-2021126264-A1 | Inkjet inks | 20191220 |
WO-2021126267-A1 | Inkjet inks | 20191220 |
PMID | Publication Date | Title | Journal |
14664509 | 20031217 | Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes | Journal of agricultural and food chemistry |
4330964 | 19710301 | Gentisic acid and its 3- and 4-methyl-substituted homologoues as intermediates in the bacterial degradation of m-cresol, 3,5-xylenol and 2,5-xylenol | The Biochemical journal |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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