chempirical

Butyl phthalyl butyl glycolate

C18H24O6CAS 85-70-1336.38 g/mol

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Ester

Properties

Molecular formula
C18H24O6
Molar mass
336.38 g/mol
Exact mass
336.1573 Da
Density
1.1 g/mL
Melting point
below −35 °C
Boiling point
345 °C
Flash point
198.9 °C (open cup)
logP
3.14Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
10

Hazards

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

Precautionary statements

P273, P501

Identifiers

CAS number
85-70-1
SMILES
CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC
InChIKey
GOJCZVPJCKEBQV-UHFFFAOYSA-N
InChI
InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester
  • Phthalic acid, butyl ester, ester with butyl glycolate
  • 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester
  • Glycolic acid, butyl ester, butyl phthalate
  • Butyl phthalate butyl glycolate
  • Dibutyl o-carboxybenzoyloxyacetate
  • Santicizer B 16
  • Butyl carbobutoxymethyl phthalate
  • Butyl glycolyl butyl phthalate
  • Butoxycarbonylmethyl butyl phthalate
  • Reomol 4PG
  • Morflex 190
  • 2-Butoxy-2-oxoethyl butyl phthalate
  • Butyl 2-butoxy-2-exoethyl phthalate
  • 2-O-(2-Butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate

Work with Butyl phthalyl butyl glycolate

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

Dibutyl phthalate84-74-279 % similar Dipentyl phthalate131-18-072 % similar Di-n-octyl phthalate117-84-070 % similar Diheptyl phthalate3648-21-370 % similar Dihexyl phthalate84-75-370 % similar Dinonyl 1,2-benzenedicarboxylate84-76-470 % similar Didecyl phthalate84-77-570 % similar Monobutyl phthalate131-70-470 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook