Dibutyl carbonate
Properties
- Molecular formula
- C9H18O3
- Molar mass
- 174.24 g/mol
- Exact mass
- 174.1256 Da
- Density
- 0.9237 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 170 °C
- logP
- 2.74Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 6
Hazards
Danger
- H315 Causes skin irritation13.9% of notifiers
- H317 May cause an allergic skin reaction76.6% of notifiers
- H318 Causes serious eye damage89.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects90.5% of notifiers
Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P501
Identifiers
CAS number
542-52-9SMILES
CCCCOC(=O)OCCCCInChIKey
QLVWOKQMDLQXNN-UHFFFAOYSA-NInChI
InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Carbonic acid, dibutyl ester
- n-Butyl carbonate
- Di-n-butyl carbonate
- NSC 8462
- Jeffsol AG 1560
Work with Dibutyl carbonate
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
Dicaprylyl carbonate1680-31-582 % similar
Dipropyl carbonate623-96-171 % similar
Dibutyl oxalate2050-60-465 % similar
Trimethylene carbonate2453-03-465 % similar
Poly(trimethylene carbonate)31852-84-365 % similar
Butyl acetate123-86-460 % similar
Dibutyl succinate141-03-760 % similar
Dipropyl peroxydicarbonate16066-38-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.