Mono(4-hydroxybutyl) Terephthalate (>90%) - CAS 63317-89-5

Catalog:	BB059019
Product Name:	Mono(4-hydroxybutyl) Terephthalate (>90%)
CAS:	63317-89-5
Synonyms:	1-(4-Hydroxybutyl) Ester 1,4-benzenedicarboxylic Acid

Technical Data

IUPAC Name:	4-(4-hydroxybutoxycarbonyl)benzoate
Description:	Mono(4-hydroxybutyl) Terephthalate (>90%) is utilized for the production of┬аpoly(butylene terephthalate),┬аa thermoplastic engineering polymer.┬аIt can also be used for biodegradation of aliphatic-aromatic copolyesters.
Molecular Weight:	238.24
Molecular Formula:	C12H14O5
Canonical SMILES:	C1=CC(=CC=C1C(=O)[O-])C(=O)OCCCCO
InChI:	InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)/p-1
InChI Key:	QOBMQTZOKFYGNH-UHFFFAOYSA-M
Melting Point:	> 129° C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance:	White to Off-White Solid
Storage:	-20°C, Inert atmosphere
References:	Padias, A. B., and Hall, H. K. Jr. J. Polym. Sci. A Polym. Chem. 19, 1021 (1981); Witt, U., et al. Chemosphere, 44, 289 (2001).

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.07629851
Formal Charge:	-1
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.07629851
Rotatable Bond Count:	6
Topological Polar Surface Area:	86.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9