chempirical

Sorbitan trioleate

C60H108O8CAS 26266-58-0957.52 g/mol

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AlcoholAlkeneEsterEther

Properties

Molecular formula
C60H108O8
Molar mass
957.52 g/mol
Exact mass
956.8044 Da
logP
17.23Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
50
Stereocentres
R, R, R, Sin SMILES atom order
Double bonds
Z, Z, ZE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 587 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
26266-58-0
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIKey
PRXRUNOAOLTIEF-ADSICKODSA-N
InChI
InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59+,60+/m0/s1

Weigh it out

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

Names and synonyms

54 names · show all
  • Sorbitan, trioleate
  • Solfa 850
  • OP 85
  • Sorbitan, tri-(9Z)-9-octadecenoate
  • Sorbitan, tri-9-octadecenoate, (Z,Z,Z)-
  • Span 85
  • Crill 5
  • Arlacel 85
  • TE 33
  • Ionet S 85
  • Nissan nonion OP 85
  • Emsorb 2503
  • Glycomul TO
  • Nissan nonion OP 85R
  • OP 85R
  • Emasol 430
  • Rheodol SP-O 30
  • Lonzest STO
  • Nikkol SO 30
  • Glytanox 4034
  • Alkamuls STO
  • Nonion OP 85R
  • Sorbon S 85
  • Dehymuls STO
  • Rikemal OR 85
  • Newkalgen D 935T
  • Newcol 3-80
  • Atlox 4885
  • Sinopol 3-80
  • Montane 85
  • Kosteran O 3
  • Crill 45
  • Atmer 106
  • Nikkol SO 30R
  • E 496
  • Crill 45R
  • Montane VG 85
  • Rheodol SP-O 30V
  • SP-O 30V
  • Nikkol SO 30RV
  • Pionin D 935T
  • Sorgen 20V
  • Emasol O 30V
  • SP 85
  • SP 65
  • SP 40
  • Kosteran O 3VH
  • EMS 85
  • T-Sol 85
  • Tego STO-V
  • S 85
  • Radiasurf 7348
  • Nikkol SO 30V
  • SO 30V

Work with Sorbitan trioleate

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

Sorbitan trioctadecanoate26658-19-589 % similar Sorbitan monooleate1338-43-871 % similar Sorbitan monolaurate1338-39-261 % similar Sorbitan monostearate1338-41-661 % similar Span 4026266-57-961 % similar Triolein122-32-759 % similar PEG 120 methyl glucose dioleate86893-19-858 % similar Propylene glycol dioleate105-62-457 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook