chempirical

Triacetin

C9H14O6CAS 102-76-1218.20 g/mol

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Ester

Properties

Molecular formula
C9H14O6
Molar mass
218.20 g/mol
Exact mass
218.0790 Da
Density
1.1562 g/mL (at 25 °C)
Melting point
−78 °C
Boiling point
258–260 °C
logP
0.04Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
102-76-1
SMILES
CC(=O)OCC(COC(C)=O)OC(C)=O
InChIKey
URAYPUMNDPQOKB-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

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Names and synonyms

35 names · show all
  • Glyceryl triacetate
  • Kesscoflex TRA
  • Triacetine
  • Triacetylglycerin
  • 1,2,3-Propanetriol, 1,2,3-triacetate
  • Acetin, tri-
  • 1,2,3-Propanetriol, triacetate
  • Enzactin
  • Fungacetin
  • Glycerol triacetate
  • Vanay
  • Glycerin triacetate
  • Glyped
  • 1,2,3-Triacetoxypropane
  • Estol 1581
  • Ujostabil
  • Triacetylglycerol
  • Priacetin 1580
  • Priacetin 1581
  • NSC 4796
  • Edenor GTA
  • DRA 150
  • Speziol GTA
  • Kollisolv GTA
  • Triacetin 1584
  • Triacetain glycerol
  • Captex 500
  • Alphacure 920
  • DAR 150
  • Edenor GTA kosher
  • 106C
  • GTA
  • 2,3-Diacetyloxypropyl acetate
  • 1,3-Bis(acetyloxy)propan-2-yl acetate
  • DRA-150

Work with Triacetin

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propylene glycol diacetate623-84-763 % similar 1,3-Diacetoxy-2-(acetoxymethoxy)propane86357-13-363 % similar Isobutyl acetate110-19-058 % similar Tetrahydrofurfuryl acetate637-64-957 % similar Cyclohexyl acetate622-45-756 % similar 2-Ethylbutyl acetate10031-87-554 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-552 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-952 % similar

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

Same formula

4,5-Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-29-1 4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-30-4

Elsewhere

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