Ethyl 2-nonynoate
Properties
- Molecular formula
- C11H18O2
- Molar mass
- 182.26 g/mol
- Exact mass
- 182.1307 Da
- Density
- 0.901–0.907 g/mL
- Boiling point
- 226–227 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation30.5% of notifiers
- H319 Causes serious eye irritation30.5% of notifiers
- H335 May cause respiratory irritation30.5% of notifiers
Aggregated from 128 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
10031-92-2SMILES
CCCCCCC#CC(=O)OCCInChIKey
BFZNMUGAZYAMTG-UHFFFAOYSA-NInChI
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 2-Nonynoic acid, ethyl ester
- NSC 190985
- Ethyl-2-nonynoate
Work with Ethyl 2-nonynoate
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 2-octynoate10519-20-797 % similar
Methyl 2-nonynoate111-80-868 % similar
Methyl 2-octynoate111-12-665 % similar
Ethyl 2-pentynoate55314-57-358 % similar
Diethyl acetylenedicarboxylate762-21-057 % similar
Ethyl 2-butynoate4341-76-850 % similar
2-Octynoic acid5663-96-750 % similar
Ethyl heptanoate106-30-947 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.