chempirical

Isopropyl triisostearoyl titanate

C57H116O7TiCAS 61417-49-0961.41 g/mol

Open in Covalent MOL file
OOHOOHOOHOHTi
AlcoholCarboxylic acid

Properties

Molecular formula
C57H116O7Ti
Molar mass
961.41 g/mol
Exact mass
960.8200 Da
logP
18.95Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
45

Hazards

Warning
Irritant (GHS07)

Aggregated from 205 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
61417-49-0
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
InChIKey
IEKHISJGRIEHRE-UHFFFAOYSA-N
InChI
InChI=1S/3C18H36O2.C3H8O.Ti/c3*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3(2)4;/h3*17H,3-16H2,1-2H3,(H,19,20);3-4H,1-2H3;

Weigh it out

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

Names and synonyms

39 names · show all
  • Titanium, tris(isooctadecanoato-κO)(2-propanolato)-
  • Titanium, tris(isooctadecanoato-O)(2-propanolato)-
  • 2-Propanol, titanium complex
  • Isooctadecanoic acid, titanium complex
  • Tris(isooctadecanoato-κO)(2-propanolato)titanium
  • Ken-react TTS
  • KR-TTS
  • TTS
  • Titanium isopropoxide triisostearate
  • Isopropoxytris(isostearoyloxy)titanium
  • Isopropoxytris(isostearato)titanium
  • Plenact TTS
  • TTS 2-3099
  • Isopropoxytitanium triisostearate
  • Plenact TTS 2-3099
  • Plenact KR-TTS
  • OLT 999
  • KR 220 (titanate)
  • KR 220
  • NT 101
  • Tyzor ISTT
  • Isopropyl titanium triisostearate
  • KR-TIS
  • Isopropyltriisostearate titanate
  • Titacoat S 151
  • S 151
  • NDZ 132
  • LD 101
  • LD 101 (coupling agent)
  • LD-A
  • UP 130
  • UP 132
  • Titanate 101
  • Titanium triisostearoylisopropoxide
  • Orgatix TC 800
  • Ajinomoto TTS
  • PN 130 (coupling agent)
  • PN 130
  • Titanium, tris(isooctadecanoato-kappaO)(2-propanolato)-

Work with Isopropyl triisostearoyl titanate

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

Isononanoic acid26896-18-477 % similar Isostearic acid2724-58-577 % similar Isooctanoic acid25103-52-074 % similar 5-Methylhexanoic acid628-46-666 % similar 4-Methylpentanoic acid646-07-155 % similar 12-Hydroxystearic acid106-14-950 % similar Dioxystearinsaeure120-87-650 % similar 12-Hydroxystearic acid36377-33-050 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook