compound introduction
1-甲氧基-3-甲基苯是甲氧基苯的一种。
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1-methoxy-3-methylbenzene
Dangerous GoodsCAS number：100-84-5 molecular formula：C8H10O
overview
Specs
| Chinese alias | 间甲基苯甲醚 | ||
| English alias | 3-Cresol methyl ether | InChI=1/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H | Meta-Methylanisole | Methyl 3-methylphenyl ether | 3-methyl anisole | NSC6255 | NSC-6255 | SCHEMBL12353 | Q27291091 | W-108936 | CHEBI:167079 | DTXSID2051500 | 1-Methoxy-3-methylbenz | ||
| CAS number | 100-84-5 | molecular formula | C8H10O |
| molecular weight | 122.16 | Exact mass | ≥98%(GC) |
| PSA | 9.2 | logp | 2.7 |
numbering system
| CAS | 100-84-5 |
| UNII | UI9I3Y6WTZ |
| ChEBI ID | 167079 |
| Wikidata | Q27291091 |
| ChEMBL ID | CHEMBL349791 |
| NSC Number | NSC Number: NSC6255 |
| PubChem CID | 7530 |
| Nikkaji Number | J4.985I |
| Pharos Ligand ID | 35C6J5UT3K7H |
| DSSTox Substance ID | DTXSID2051500 |
| Metabolomics Workbench ID | 111215 |
| European Community (EC) Number | 202-893-4 |
| PubChem Reference Collection SID | 505429246 |
physicochemical properties
| XLogP3 | 2.7 |
| Complexity | 80.6 |
| Exact Mass | 122.073164938 |
| Formal Charge | 0 |
| Vapor Pressure | 1.5 [mmHg] |
| Chemical Classes | Other Classes -> Ethers, Other |
| Heavy Atom Count | 9 |
| Molecular Weight | 122.16 |
| Monoisotopic Mass | 122.073164938 |
| Isotope Atom Count | 0 |
| Physical Description | Colorless liquid with a pleasant odor; [Alfa Aesar MSDS] |
| Rotatable Bond Count | 1 |
| Kovats Retention Index | Standard polar: 1430 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 9.2 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Adverse Effects：
Neurotoxin - Acute solvent syndrome
Hazards Summary：
Intraperitoneal LD50 (mouse) > 500 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Anisole and 1-Methoxy-4-methylbenzene.
Regulatory Information：
The Australian Inventory of Industrial Chemicals: Chemical: Benzene, 1-methoxy-3-methyl-
Hazard Classes and Categories：
Acute Tox. 4 (87.8%)
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-84-5 | 3-Methylanisole.pdf
