1,2-Bis[p-(2-hydroxyethoxycarbonyl)benzoyloxy]ethane - CAS 2144-69-6

Catalog:	BB072495
Product Name:	1,2-Bis[p-(2-hydroxyethoxycarbonyl)benzoyloxy]ethane
CAS:	2144-69-6
Synonyms:	Terephthalic Acid Ester with Ethylene Glycol (2:3); Terephthalic Acid Ethylene Bis(2-hydroxyethyl) Ester;; Ethylene Glycol Terephthalate (3:2)

Technical Data

IUPAC Name:	4-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Description:	1,2-Bis[p-(2-hydroxyethoxycarbonyl)benzoyloxy]ethane is a copolyester formed from used PET beverage bottles. Also used in the synthesis of telechelic dithiols.
Molecular Weight:	446.4
Molecular Formula:	C22H22O10
Canonical SMILES:	C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCO
InChI:	InChI=1S/C22H22O10/c23-9-11-29-19(25)15-1-5-17(6-2-15)21(27)31-13-14-32-22(28)18-7-3-16(4-8-18)20(26)30-12-10-24/h1-8,23-24H,9-14H2
InChI Key:	SMNDVBDBKRCKDY-UHFFFAOYSA-N
Melting Point:	158 - 163°C
Solubility:	DMSO (Slightly), Methanol (Slightly, Heated)
Appearance:	White to Pale Beige Solid
Storage:	4°C, Hygroscopic
References:	Vitasek, J. et al. J. Polym. Env., 20, 618 (2012); Ameduri, B. et al. Phos. Sulf. Silicon. Rel. Elem., 82, 109 (1993).

Complexity:	564
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	446.12129689
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	446.12129689
Rotatable Bond Count:	15
Topological Polar Surface Area:	146Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7