Bis(4-hydroxybutyl) Terephthalate - CAS 23358-95-4

Catalog:	BB072948
Product Name:	Bis(4-hydroxybutyl) Terephthalate
CAS:	23358-95-4
Synonyms:	1,4-Benzenedicarboxylic Acid Bis(4-hydroxybutyl) Ester; Terephthalic Acid Bis(4-hydroxybutyl) Ester; 1,4-Butanediol Terephthalate (2:1); 1,4-Butanediyl Terephthalate

Technical Data

IUPAC Name:	bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
Description:	Bis(4-hydroxybutyl) Terephthalate is an intermediate formed in the synthesis of Cyclotris(1,4-butylene Terephthalate) (C988975), a cyclic trimer of poly(butylene terephthalate), a thermoplastic engineering polymer.
Molecular Weight:	310.34
Molecular Formula:	C16H22O6
Canonical SMILES:	C1=CC(=CC=C1C(=O)OCCCCO)C(=O)OCCCCO
InChI:	InChI=1S/C16H22O6/c17-9-1-3-11-21-15(19)13-5-7-14(8-6-13)16(20)22-12-4-2-10-18/h5-8,17-18H,1-4,9-12H2
InChI Key:	MRLFFZIIRRKXBJ-UHFFFAOYSA-N
Melting Point:	73-75°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C
References:	East, G.C. et al. Polymer, 23, 323 (1982).

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.14163842
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	310.14163842
Rotatable Bond Count:	12
Topological Polar Surface Area:	93.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1