4,4'-Bis(hydroxymethyl)diphenyl ether - CAS 2350-43-8

Catalog:	BB076916
Product Name:	4,4'-Bis(hydroxymethyl)diphenyl ether
CAS:	2350-43-8
Synonyms:	(oxybis(4,1-phenylene))dimethanol; [Oxydi(4,1-phenylene)]dimethanol; Benzenemethanol, 4,4'-oxybis-; 4,4'-oxybis(benzyl alcohol); p,p'-Bis(hydroxymethyl)diphenyl ether

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	[4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
Molecular Weight:	230.27
Molecular Formula:	C14H14O3
Canonical SMILES:	C1=CC(=CC=C1CO)OC2=CC=C(C=C2)CO
InChI:	InChI=1S/C14H14O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChI Key:	VFLRGCHXIWFSGO-UHFFFAOYSA-N
Boiling Point:	410.4±40.0°C at 760 mmHg
Melting Point:	135.5-136.0°C
Purity:	≥95%
Density:	1.2±0.1 g/cm3

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.094294304
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	230.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7