chempirical

Bis(2-hydroxyethyl) terephthalate

C12H14O6CAS 959-26-2254.24 g/mol

Open in Covalent MOL file
OOHOOOOH
AlcoholEster

Properties

Molecular formula
C12H14O6
Molar mass
254.24 g/mol
Exact mass
254.0790 Da
Melting point
110 °C
logP
-0.02Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 106 ECHA notifiers. Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
959-26-2
SMILES
O=C(OCCO)c1ccc(C(=O)OCCO)cc1
InChIKey
QPKOBORKPHRBPS-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • 1,4-Benzenedicarboxylic acid, 1,4-bis(2-hydroxyethyl) ester
  • Terephthalic acid, bis(2-hydroxyethyl) ester
  • 1,4-Benzenedicarboxylic acid, bis(2-hydroxyethyl) ester
  • Ethylene glycol, terephthalate (2:1)
  • Bis(β-hydroxyethyl) terephthalate
  • Bis(hydroxyethyl) terephthalate
  • Bis(ethylene glycol) terephthalate
  • Terephthalic acid diethylene glycol ester
  • Nisso BHET
  • BHET-N
  • BHET(J)
  • Terephthalic acid diglycol ester
  • Bis(2-hydroxyethyl) 1,4-benzenedicarboxylate
  • BHET
  • Di-2-hydroxyethyl terephthalate

Work with Bis(2-hydroxyethyl) terephthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycol salicylate87-28-556 % similar Trimethylene glycol di-p-aminobenzoate57609-64-053 % similar Propylparaben94-13-353 % similar Diethyl terephthalate636-09-952 % similar Di-O-benzoyldiethylene glycol120-55-852 % similar Poly(ethylene glycol) bis(p-dimethylaminobenzoate)71512-90-852 % similar Butylparaben94-26-850 % similar Phenylethyl benzoate94-47-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethyl 2-(2-methoxyphenoxy)malonate150726-89-9 Diethyl 2,5-dihydroxyterephthalate5870-38-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia