1-Ethoxynaphthalene
Properties
- Molecular formula
- C12H12O
- Molar mass
- 172.23 g/mol
- Exact mass
- 172.0888 Da
- Melting point
- 5.5 °C
- Boiling point
- 280.5 °C
- logP
- 3.24Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H412 Harmful to aquatic life with long lasting effects100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5328-01-8SMILES
CCOc1cccc2ccccc12InChIKey
APWZAIZNWQFZBK-UHFFFAOYSA-NInChI
InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Naphthalene, 1-ethoxy-
- Ethyl α-naphthyl ether
- Ethyl 1-naphthyl ether
- α-Ethoxynaphthalene
- NSC 4174
Work with 1-Ethoxynaphthalene
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
1,2-Diethoxybenzene2050-46-664 % similar
1-Chloro-2-ethoxybenzene614-72-257 % similar
2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-056 % similar
1-Methoxynaphthalene2216-69-555 % similar
2-((1-Naphthalenyloxy)methyl)oxirane2461-42-955 % similar
1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-852 % similar
1-Ethoxy-2-fluorobenzene451-80-952 % similar
2-Ethoxyaniline94-70-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Naphthaleneethanol1485-07-0
1-(Naphthalen-1-yl)ethan-1-ol15914-84-8
(S)-(-)-Alpha-methyl-2-naphthalenemethanol27544-18-9
Alpha-Methylnaphthalene-2-methanol40295-80-5
(R)-(+)-Alpha-methyl-1-naphthalenemethanol42177-25-3
Alpha-Methylnaphthalene-2-methanol7228-47-9
Naphthalen-1-ethanol773-99-9
2-Ethoxynaphthalene93-18-5