Ethyl 3-hydroxybenzoate - CAS 7781-98-8

Name: Ethyl 3-hydroxybenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

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