Ethyl 3-Hydroxyphenylacetate - CAS 22446-38-4
Catalog: |
BB076914 |
Product Name: |
Ethyl 3-Hydroxyphenylacetate |
CAS: |
22446-38-4 |
Synonyms: |
3-Hydroxy-benzeneacetic Acid Ethyl Ester; (3-Hydroxyphenyl)acetic Acid Ethyl Ester; Ethyl (3-hydroxyphenyl)acetate; Benzeneacetic acid, 3-hydroxy-, ethyl ester; Acetic acid, (m-hydroxyphenyl)-, ethyl ester |
Application: |
A useful synthetic intermediate for the preparation of novel antiinflammatory agents. |
IUPAC Name: | ethyl 2-(3-hydroxyphenyl)acetate |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCOC(=O)CC1=CC(=CC=C1)O |
InChI: | InChI=1S/C10H12O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6,11H,2,7H2,1H3 |
InChI Key: | NSQBADKMIYCCSC-UHFFFAOYSA-N |
Boiling Point: | 292.5±15.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.146±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Dichloromethane, Ethyl Acetate, Toluene |
Appearance: | Light Yellow Liquid |
Storage: | Store at 2-8°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 168 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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