Ethyl phenoxyacetate - CAS 2555-49-9
Catalog:
BB018949
Product Name:
Ethyl phenoxyacetate
CAS:
2555-49-9
Synonyms:
Phenoxyacetic Acid Ethyl Ester; Acetic acid, phenoxy-, ethyl ester
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BB018949
500 g
$739
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IUPAC Name: ethyl 2-phenoxyacetate
Description: Ethyl phenoxyacetate is a compound useful in organic synthesis.
Molecular Weight: 180.20
Molecular Formula: C10H12O3
Canonical SMILES: CCOC(=O)COC1=CC=CC=C1
InChI: InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key: MGZFVSUXQXCEHM-UHFFFAOYSA-N
Boiling Point: 136 °C at 19 mmHg
Melting Point: 48-49 °C
Flash Point: 97.4°C
Purity: 98 %
Density: 1.1 g/cm3
Solubility: water: 874.4 mg/L at 25 °C (est)
Appearance: Colorless to yellow liquid
Storage: Store in a cool, dry place. Store in a tightly closed container.
MDL: MFCD00026895
LogP: 1.62850
Refractive Index: 1.5045-1.5065
Stability: Stable under normal temperatures and pressures.
GHS Hazard Statement: H319 (99.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement: P264, P280, P305+P351+P338, and P337+P313
Signal Word: Warning
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PMID Publication Date Title Journal
21580138 20091204 2-(2-Chloro-phen-oxy)acetohydrazide Acta crystallographica. Section E, Structure reports online
21580156 20091204 2-Phenoxy-acetohydrazide Acta crystallographica. Section E, Structure reports online
Complexity: 150
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 180.078644241
Formal Charge: 0
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 180.078644241
Rotatable Bond Count: 5
Topological Polar Surface Area: 35.5 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.8
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