Ethyl o-tolylacetate - CAS 40291-39-2
Catalog: |
BB024431 |
Product Name: |
Ethyl o-tolylacetate |
CAS: |
40291-39-2 |
Synonyms: |
ethyl 2-(2-methylphenyl)acetate |
IUPAC Name: | ethyl 2-(2-methylphenyl)acetate |
Description: | Ethyl o-tolylacetate (CAS# 40291-39-2) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CCOC(=O)CC1=CC=CC=C1C |
InChI: | InChI=1S/C11H14O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
InChI Key: | HTDQOYWJDUMNHX-UHFFFAOYSA-N |
Boiling Point: | 224.5 °C at 760 mmHg, 76-77 °C / 3 mmHg (lit.) |
Density: | 0.999 g/cm3 |
Appearance: | Light yellow liquid |
LogP: | 2.10060 |
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-113308705-A | Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate | 20210531 |
WO-2020154728-A1 | Formulations capable of reacting with or removal of molecular oxygen | 20190126 |
CN-111057169-A | Catalyst for olefin polymerization and preparation method and application thereof | 20181016 |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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