Ethyl stearate
Properties
- Molecular formula
- C20H40O2
- Molar mass
- 312.54 g/mol
- Exact mass
- 312.3028 Da
- Density
- 0.88–0.9 g/mL
- Melting point
- 33 °C
- Boiling point
- 199 °C
- logP
- 6.81Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 17
Hazards
Warning
- H315 Causes skin irritation99.3% of notifiers
- H319 Causes serious eye irritation99.3% of notifiers
- H335 May cause respiratory irritation39.9% of notifiers
Aggregated from 138 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
111-61-5SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCInChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-NInChI
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Octadecanoic acid, ethyl ester
- Stearic acid, ethyl ester
- Ethyl n-octadecanoate
- Ethyl octadecanoate
- NSC 8919
- KAK-ES
Work with Ethyl stearate
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
Ethyl heptanoate106-30-9100 % similar
Ethyl octanoate106-32-1100 % similar
Ethyl dodecanoate106-33-2100 % similar
Ethyl decanoate110-38-3100 % similar
Ethyl nonanoate123-29-5100 % similar
Ethyl myristate124-06-1100 % similar
Ethyl heptadecanoate14010-23-2100 % similar
Ethyl nonadecanoate18281-04-4100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds