2- Hydroxyethyl Benzoate(Ethylene Glycol Monobenzoate) - CAS 94-33-7
Catalog: |
BB065739 |
Product Name: |
2- Hydroxyethyl Benzoate(Ethylene Glycol Monobenzoate) |
CAS: |
94-33-7 |
Synonyms: |
1,2-Ethanediol 1-Benzoate; 1,2-Ethanediol Monobenzoate; 2-(Benzoyloxy)ethanol; 2-Benzoyloxy-1-hydroxyethane; 2-Hydroxyethyl benzoate; 2-Hydroxyethyl Phenylacetate; NSC 57378; β-Hydroxyethyl Benzoate |
IUPAC Name: | 2-hydroxyethyl benzoate |
Description: | Ethylene Glycol Monobenzoate, is a reagent that can be used as an intermediate in a variety of chemical and biochemical reactions. It is used as an intermediate in the preparation of 1,2-Ethanediol Disodium Salt (E890125), which is the result of the nucleophilic attack on its carbonyl group. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCCO |
InChI: | InChI=1S/C9H10O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2 |
InChI Key: | LSWRBVSEWBWTDR-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colourless to Off-White Oil to Low Melting Solid |
Storage: | 4°C |
References: | Khouri, F. et al. J. Am. Chem. Soc., 108, 6683 (1986). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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