chempirical

2-Ethylhexyl phosphate

C8H21O5PCAS 12645-31-7228.22 g/mol

Open in Covalent MOL file
OHOPHOHOOH
AlcoholPhosphate

Properties

Molecular formula
C8H21O5P
Molar mass
228.22 g/mol
Exact mass
228.1127 Da
logP
1.27Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
5

Identifiers

CAS number
12645-31-7
SMILES
CCCCC(CC)CO.O=P(O)(O)O
InChIKey
FZQYZMODYSBPES-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O.H3O4P/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H3,1,2,3,4)

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Names and synonyms

14 names · show all
  • Phosphoric acid, 2-ethylhexyl ester
  • 2-Ethylhexyl acid phosphate
  • 2EHAPO4
  • Phoslex A 8
  • Beycostat A 081
  • Hordaphos MDAH
  • JP 508
  • Sipophos 2EHP
  • AP 8
  • AP 8 (phosphate)
  • Maphos 10T
  • Servoxyl VPTZ 100
  • Hostaphat MDAH
  • Servoxyl VPDZ 100

Work with 2-Ethylhexyl 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

2-Ethylhexanol104-76-772 % similar 2-Ethylhexyl titanate1070-10-666 % similar Di-(2-ethylhexyl)phosphoric acid298-07-753 % similar Ethylhexylglycerin70445-33-950 % similar 2-Ethylhexyl (2-ethylhexyl)phosphonate14802-03-049 % similar Tris(2-ethylhexyl) phosphate78-42-249 % similar 2-Hexyl-1-decanol2425-77-648 % similar Octyldodecanol5333-42-648 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook