chempirical

Di-O-benzoyldiethylene glycol

C18H18O5CAS 120-55-8314.34 g/mol

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Properties

Molecular formula
C18H18O5
Molar mass
314.34 g/mol
Exact mass
314.1154 Da
Density
1.2 g/mL
Melting point
−28 °C
Boiling point
225–227 °C (at 3 Torr)
Flash point
232.2 °C (closed cup)
Water solubility
miscible
logP
2.72Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Hazards

Environmental Hazard (GHS09)

Aggregated from 379 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
120-55-8
SMILES
O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
InChIKey
NXQMCAOPTPLPRL-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2

Weigh it out

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Names and synonyms

15 names · show all
  • Ethanol, 2,2′-oxybis-, 1,1′-dibenzoate
  • Diethylene glycol, dibenzoate
  • Ethanol, 2,2′-oxybis-, dibenzoate
  • 2-[2-(Benzoyloxy)ethoxy]ethyl benzoate
  • Benzoflex S 45
  • Benzoflex 2-45
  • Benzoflex 2-42
  • K-Flex DE
  • Flexol 2GB
  • Monocizer PB 3
  • PB 3
  • Velsicol 2-45
  • PB 3A
  • Monocizer PB 3A
  • DEDB

Work with Di-O-benzoyldiethylene glycol

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

Phenylethyl benzoate94-47-369 % similar Propyl benzoate2315-68-667 % similar 2-Bromoethyl benzoate939-54-867 % similar 2-Chloroethyl benzoate939-55-967 % similar Ethyl benzoate93-89-066 % similar Butyl benzoate136-60-763 % similar Pentyl benzoate2049-96-961 % similar 2-Dimethylaminoethyl benzoate2208-05-161 % similar

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

Same formula

2′-Hydroxy-4,4′,6′-trimethoxychalcone3420-72-2 Naringenin trimethyl ether38302-15-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook