Dibenzyl ether - CAS 103-50-4

Catalog:	BB001160
Product Name:	Dibenzyl ether
CAS:	103-50-4
Synonyms:	phenylmethoxymethylbenzene

Technical Data

IUPAC Name:	phenylmethoxymethylbenzene
Description:	Dibenzyl ether (CAS# 103-50-4) is most commonly used as a plasticizer and is very effective in the use of hyperbranched polymers.
Molecular Weight:	198.26
Molecular Formula:	C14H14O
Canonical SMILES:	C1=CC=C(C=C1)COCC2=CC=CC=C2
InChI:	InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:	MHDVGSVTJDSBDK-UHFFFAOYSA-N
Boiling Point:	298 ℃
Melting Point:	1.5-3.5°C
Flash Point:	135°C
Purity:	99 %
Density:	1.04 g/cm³
Solubility:	water, 40 mg/L @ 35 °C (exp)
Appearance:	Colorless liquid with a mild odor.
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00004780
LogP:	3.40340
Refractive Index:	1.561-1.563
Stability:	Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.
Vapor Pressure:	1 mmHg at 77 °F ; 4 mmHg at 122 °F; 31 mmHg at 203 °F

GHS Hazard Statement:	H317 (64.41%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501
Signal Word:	Warning

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US-11008322-B1	Method of synthesizing (1S,12bS) lactam ester compound	20200219
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PMID	Publication Date	Title	Journal
29205417	20180501	Inhibition of germinal vesicle breakdown in Xenopus oocytes in vitro by a series of substituted glycol ethers	Journal of applied toxicology : JAT
24625403	20140201	Subacute effect of decabromodiphenyl ethane on hepatotoxicity and hepatic enzyme activity in rats	Biomedical and environmental sciences : BES
23228808	20130115	Development of substituted N-[3-(3-methoxylphenyl)propyl] amides as MT(2)-selective melatonin agonists: improving metabolic stability	Bioorganic & medicinal chemistry
23057768	20121102	Construction of snowflake-shaped dendritic covalent assemblies with rigid conjugated networks	The Journal of organic chemistry
22696056	20121101	Vitiligo-inducing phenols activate the unfolded protein response in melanocytes resulting in upregulation of IL6 and IL8	The Journal of investigative dermatology

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.104465066
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3