2-Ethylhexyl (2-ethylhexyl)phosphonate

C₁₆H₃₅O₃PCAS 14802-03-0306.43 g/mol

Open in Covalent MOL file

Phosphonate

Properties

Molecular formula: C₁₆H₃₅O₃P
Molar mass: 306.43 g/mol
Exact mass: 306.2324 Da
logP: 5.62Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 13

Hazards

Danger

H290 May be corrosive to metals29.6% of notifiers
H302 Harmful if swallowed25.9% of notifiers
H312 Harmful in contact with skin22.2% of notifiers
H315 Causes skin irritation96.3% of notifiers
H318 Causes serious eye damage77.8% of notifiers
H319 Causes serious eye irritation22.2% of notifiers

Aggregated from 27 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P390, P406, P501

Identifiers

CAS number

14802-03-0

SMILES

CCCCC(CC)COP(=O)(O)CC(CC)CCCC

InChIKey

ZDFBXXSHBTVQMB-UHFFFAOYSA-N

InChI

InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)

Weigh it out

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

Names and synonyms

14 names · show all

Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester
Phosphonic acid, (2-ethylhexyl)-, mono(2-ethylhexyl) ester
1-Hexanol, 2-ethyl-, (2-ethylhexyl)phosphonate
Mono(2-ethylhexyl) 2-ethylhexylphosphonate
(2-Ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester
P 507
PC 88A
HEHEHP
2-Ethylhexyl hydrogen (2-ethylhexyl)phosphonate
KSM 17
MOOP
P507
2-Ethylhexyl 2-ethylhexyphosphonate
2-Ethylhexyl phosphonic acid mono-2-ethylhexyl ester

Work with 2-Ethylhexyl (2-ethylhexyl)phosphonate

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

Di-(2-ethylhexyl)phosphoric acid298-07-765 % similar Tris(2-ethylhexyl) phosphate78-42-261 % similar Di(2-ethylhexyl)ether10143-60-950 % similar 2-Ethylhexyl phosphate12645-31-749 % similar 2-Ethylhexyl diphenyl phosphate1241-94-747 % similar 2-Ethylhexyl nitrate27247-96-745 % similar Tetra-(2-ethylhexoxy)silane115-82-245 % similar 2-Ethylhexanol104-76-743 % similar

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

Same formula

Bis(2-ethylhexyl) phosphite3658-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook