1,1,1-Triethoxypentane

C11H24O3CAS 919-29-9204.31 g/mol

Open in Covalent MOL file
OOO
AcetalEther

Properties

Molecular formula
C11H24O3
Molar mass
204.31 g/mol
Exact mass
204.1725 Da
Density
0.873 g/mL (at 25 °C)
Boiling point
49–50 °C (at 3 Torr)
logP
2.94Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
9

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
919-29-9
SMILES
CCCCC(OCC)(OCC)OCC
InChIKey
DIKAUBKIDNXNNW-UHFFFAOYSA-N
InChI
InChI=1S/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3

Weigh it out

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

Names and synonyms

4 names
  • Pentane, 1,1,1-triethoxy-
  • Orthovaleric acid, triethyl ester
  • Triethyl orthovalerate
  • Triethyl orthopentanoate

Work with 1,1,1-Triethoxypentane

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

Triethyl orthobutyrate24964-76-971 % similar Trimethyl orthovalerate13820-09-254 % similar Triethyl orthopropionate115-80-050 % similar 1,1-Diethoxycyclohexane1670-47-944 % similar 2-Chloro-1,1,1-triethoxyethane51076-95-044 % similar Diethyl dibutylmalonate596-75-842 % similar 2,2-Dimethylhexane590-73-842 % similar Tetraethoxymethane78-09-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylhexylglycerin70445-33-9

Elsewhere

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