Benzyl 4-hydroxybenzoate - CAS 94-18-8

Catalog:	BB041218
Product Name:	Benzyl 4-hydroxybenzoate
CAS:	94-18-8
Synonyms:	benzyl 4-hydroxybenzoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	benzyl 4-hydroxybenzoate
Description:	Benzyl Hydroxybenzoate is commonly used as an antimicrobial agent in cosmetic products.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O
InChI:	InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChI Key:	MOZDKDIOPSPTBH-UHFFFAOYSA-N
Boiling Point:	389.8 °C at 760 mmHg
Melting Point:	111-113 °C
Purity:	98.0%
Density:	1.224 g/cm³
Solubility:	Soluble in chloroform, methanol.
Appearance:	White solid
Storage:	Freezer
MDL:	MFCD00016471
LogP:	2.74920

Publication Number	Title	Priority Date
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
JP-2021138753-A	Pest control method for harmful arthropods using heterocyclic compounds	20210610
CN-113265203-A	Blue light-resistant adhesive film, high-stripping-force blue light-resistant adhesive film and preparation method	20210520

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
31388671	20190806	Characterization of Estrogenic and Androgenic Activities for Bisphenol A-like Chemicals (BPs): In Vitro Estrogen and Androgen Receptors Transcriptional Activation, Gene Regulation, and Binding Profiles	Toxicological sciences : an official journal of the Society of Toxicology
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA
28527915	20170815	Methylparaben and butylparaben alter multipotent mesenchymal stem cell fates towards adipocyte lineage	Toxicology and applied pharmacology
27659731	20161116	Parabens inhibit fatty acid amide hydrolase: A potential role in paraben-enhanced 3T3-L1 adipocyte differentiation	Toxicology letters

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GHS Hazard Statement:	H315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6