Ethyl 4-hydroxybenzoate - CAS 120-47-8

Catalog:	BB004886
Product Name:	Ethyl 4-hydroxybenzoate
CAS:	120-47-8
Synonyms:	ethyl 4-hydroxybenzoate
Application:	antibacterial; antimicrobial; antifungal;

Technical Data

IUPAC Name:	ethyl 4-hydroxybenzoate
Description:	Ethylparaben is isolated from the male melon fly Dacus cucurbitae. It has a certain reproductive toxicity to F0 male Drosophila, Ethylparaben of high concentration can impact sustainable to offspring, which has some facilitation effect on F1 Drosophila.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)O
InChI:	InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChI Key:	NUVBSKCKDOMJSU-UHFFFAOYSA-N
Boiling Point:	297-298 °C
Melting Point:	105-107 °C
Flash Point:	120.3°C
Purity:	99%
Density:	1.168 g/cm³
Solubility:	Soluble in chloroform (slightly), methanol (slightly).
Appearance:	Powder
Storage:	Freezer
Decomposition:	When heated to decomposition it emits acrid smoke and fumes
MDL:	MFCD00002353
LogP:	1.56890
Quality Standard:	Enterprise Standard
Refractive Index:	1.538
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Vapor Pressure:	0.0000929 [mmHg]

GHS Hazard Statement:	H304 (85.47%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P261, P264, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P331, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3818972-A2	Piroctone olamine granules for use in cosmetic compositions	20210129
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10959933-B1	Low pH skin care composition and methods of using the same	20200601
US-10980756-B1	Methods of treatment	20200316
EP-3677244-A2	Compositions comprising multilamellar vesicles	20200204

PMID	Publication Date	Title	Journal
31472229	20191101	Comparative study of the effect of 17 parabens on PXR-, CAR- and PPARα-mediated transcriptional activation	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
30481674	20190201	Urinary concentrations of phenols and phthalate metabolites reflect extracellular vesicle microRNA expression in follicular fluid	Environment international
29162470	20180101	Incorporation of metabolic enzymes to improve predictivity of reporter gene assay results for estrogenic and anti-androgenic activity	Reproductive toxicology (Elmsford, N.Y.)
27286252	20170401	Urinary Concentrations of Parabens and Other Antimicrobial Chemicals and Their Association with Couples' Fecundity	Environmental health perspectives
27432241	20160101	Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products	The Journal of toxicological sciences

Complexity:	148
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:	2.5