Dicetyl phosphate

C32H67O4PCAS 2197-63-9546.86 g/mol

Open in Covalent MOL file
OPOOHO
Phosphate

Properties

Molecular formula
C32H67O4P
Molar mass
546.86 g/mol
Exact mass
546.4777 Da
Melting point
68–70 °C
logP
12.08Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
32

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364

Identifiers

CAS number
2197-63-9
SMILES
CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
InChIKey
RNPXCFINMKSQPQ-UHFFFAOYSA-N
InChI
InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Hexadecanol, 1,1′-(hydrogen phosphate)
  • 1-Hexadecanol, hydrogen phosphate
  • Dicetyl hydrogen phosphate
  • Dihexadecyl hydrogen phosphate
  • Dihexadecyl phosphate
  • Bis(hexadecyl) phosphate
  • Di(hexadecyl) monohydrogen phosphate
  • Di-n-hexadecyl phosphate
  • Phosphoric acid dihexadecyl ester
  • DAP 60H
  • NSC 12429
  • Crodafos CS 20A
  • CS 20A

Work with Dicetyl phosphate

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

Dibutyl phosphate107-66-484 % similar Lauryl phosphate2627-35-266 % similar Potassium cetyl phosphate17026-85-654 % similar Emulsiphos19035-79-154 % similar Di-(2-ethylhexyl)phosphoric acid298-07-751 % similar Dihexyl ether112-58-350 % similar Octyl ether629-82-350 % similar Tributyl phosphate126-73-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook