chempirical

DAG-18:1/18:1

C39H72O5CAS 25637-84-7621.00 g/mol

Open in Covalent MOL file
OOHOOO
AlcoholAlkeneEster

Properties

Molecular formula
C39H72O5
Molar mass
621.00 g/mol
Exact mass
620.5380 Da
Density
0.89–0.92 g/mL (at 50 °C)
Melting point
12 °C
logP
11.51Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
34
Stereocentres
Sin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25637-84-7
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C/CCCCCCCC
InChIKey
AFSHUZFNMVJNKX-BIJVAZSDSA-N
InChI
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+/t37-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Diolein
  • 9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriol
  • Olein, di-
  • 9-Octadecenoic acid (Z)-, diester with 1,2,3-propanetriol
  • Glycerol dioleate
  • Glyceryl dioleate
  • Oleic acid diglyceride
  • Dioleoylglycerol
  • DGO 8
  • Nikkol DGO 80
  • Glycerin dioleate
  • Emulsifier TS-PH 008
  • Ligalub 12GE

Work with DAG-18:1/18:1

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

(±)-1,2-Dipalmitoylglycerol40290-32-287 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-987 % similar Triolein122-32-782 % similar 1-Oleoyl-2-acetyl-sn-glycerol86390-77-482 % similar Linolein537-40-676 % similar 2-Arachidonoylglycerol53847-30-672 % similar Glycerol 1-monooleate111-03-570 % similar Monoolein25496-72-470 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook