2,2'-[[Methylenebis(oxy)]bis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] - CAS 6228-26-8

Name: 2,2'-[[Methylenebis(oxy)]bis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031500
Product Name:	2,2'-[[Methylenebis(oxy)]bis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
CAS:	6228-26-8
Synonyms:	2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol

Technical Data

IUPAC Name:	2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol
Description:	2,2'-[[Methylenebis(oxy)]bis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] (CAS# 6228-26-8) is impurity in the synthesis of Pentaerythritol (P227200) which is a compound most commonly used in cosmetics (in its rosinate form). Pentaerythritol (P227200) is used as a skin conditioning agent (used as part of a cream base in lotions), and is also used to increase viscosity of cosmetic formulations.
Molecular Weight:	284.30
Molecular Formula:	C11H24O8
Canonical SMILES:	C(C(CO)(CO)COCOCC(CO)(CO)CO)O
InChI:	InChI=1S/C11H24O8/c12-1-10(2-13,3-14)7-18-9-19-8-11(4-15,5-16)6-17/h12-17H,1-9H2
InChI Key:	VQRQSFLPGGRPFF-UHFFFAOYSA-N
Purity:	98 %
LogP:	-3.09630

Publication Number	Title	Priority Date
US-2016311751-A1	Hexaester of mono-formal bis pentaerythritol	20121024
US-9567284-B2	Hexaester of mono-formal bis pentaerythritol	20121024
WO-2014065249-A1	Hexaester of mono-formal bis pentaerythritol	20121024
CA-2543525-C	Preparation of tetrakis [3-(3,5-di-tert-butyl-4-hydroxy phenyl) propionyl oxymethyl] methane	20031027
JP-2002302517-A	Polymerizable composition and optical plastic member obtained by curing the same	20010406

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.14711772
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	284.14711772
Rotatable Bond Count:	12
Topological Polar Surface Area:	140
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-3.8