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 |
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: | 86.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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