Dibutyl oxalate
Properties
- Molecular formula
- C10H18O4
- Molar mass
- 202.25 g/mol
- Exact mass
- 202.1205 Da
- Density
- 0.9873 g/mL (at 20 °C)
- Melting point
- −30.5 °C
- Boiling point
- 241 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 6
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2050-60-4SMILES
CCCCOC(=O)C(=O)OCCCCInChIKey
JKRZOJADNVOXPM-UHFFFAOYSA-NInChI
InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Ethanedioic acid, 1,2-dibutyl ester
- Oxalic acid, dibutyl ester
- Ethanedioic acid, dibutyl ester
- Di-n-Butyl oxalate
- Butyl oxalate
- NSC 8468
Work with Dibutyl oxalate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Butyl pyruvate20279-44-172 % similar
Butyl methacrylate97-88-167 % similar
Dibutyl carbonate542-52-965 % similar
Butyl acetate123-86-460 % similar
Dibutyl succinate141-03-760 % similar
Hexyl methacrylate142-09-659 % similar
Lauryl methacrylate142-90-559 % similar
Tridecyl methacrylate2495-25-259 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds