Ethyl 3-hydroxybenzoate - CAS 7781-98-8
Catalog: |
BB036046 |
Product Name: |
Ethyl 3-hydroxybenzoate |
CAS: |
7781-98-8 |
Synonyms: |
ethyl 3-hydroxybenzoate |
IUPAC Name: | ethyl 3-hydroxybenzoate |
Description: | Ethyl 3-hydroxybenzoate (CAS# 7781-98-8) is an organic building block used for the synthesis of various chemicals. The studies has also shown that Ethyl 3-Hydroxybenzoatethe is one of the phenolic analogs, acting as anti-melanoma agents. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)O |
InChI: | InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3 |
InChI Key: | MWSMNBYIEBRXAL-UHFFFAOYSA-N |
Boiling Point: | 187-188 °C (31 mmHg) |
Melting Point: | 71-74 °C |
Purity: | 97 % |
Density: | 1.168 g/cm3 |
Appearance: | White to off-white crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00002296 |
LogP: | 1.56890 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021211982-A2 | Regioselective synthesis of substituted compounds | 20200417 |
CN-112237187-A | Application of phenolic compound as nematicide | 20200327 |
CN-112237189-A | Application of ethyl hydroxybenzoate compound as nematocide | 20200327 |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
CN-113121578-A | Preparation method of benzoborazole compound | 20191231 |
PMID | Publication Date | Title | Journal |
19269052 | 20090531 | In vitro antimycotic activity of a Williopsis saturnus killer protein against food spoilage yeasts | International journal of food microbiology |
16674802 | 20060504 | The oxanorbornene approach to 3-hydroxy, 3,4-dihydroxy and 3,4,5-trihydroxy derivatives of 2-aminocyclohexanecarboxylic acid | Beilstein journal of organic chemistry |
12198127 | 20021115 | Benzoate X receptors alpha and beta are pharmacologically distinct and do not function as xenobiotic receptors | The Journal of biological chemistry |
Complexity: | 156 |
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: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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