3-Ethoxy-2-cyclohexen-1-one
Properties
- Molecular formula
- C8H12O2
- Molar mass
- 140.18 g/mol
- Exact mass
- 140.0837 Da
- Boiling point
- 104–106 °C (at 6 Torr)
- logP
- 1.66Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
5323-87-5SMILES
CCOC1=CC(=O)CCC1InChIKey
JWCFJPLIRVYENQ-UHFFFAOYSA-NInChI
InChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Cyclohexen-1-one, 3-ethoxy-
- 3-Ethoxy-2-cyclohexenone
- 3-Ethoxy-2-cyclohexene-1-one
- NSC 2826
- 1-Ethoxy-2-cyclohexen-3-one
Reactions
Work with 3-Ethoxy-2-cyclohexen-1-one
Similar compounds
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Diethyl pimelate2050-20-642 % similar
Diethyl suberate2050-23-942 % similar
3-Amino-2-cyclohexen-1-one5220-49-542 % similar
Diethyl azelate624-17-942 % similar
Ethyl 3,3-diethoxy-2-propenoate32002-24-741 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds