2-Tetralone
Properties
- Molecular formula
- C10H10O
- Molar mass
- 146.19 g/mol
- Exact mass
- 146.0732 Da
- Melting point
- 18 °C
- Boiling point
- 237 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 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
530-93-8SMILES
O=C1CCc2ccccc2C1InChIKey
KCKZIWSINLBROE-UHFFFAOYSA-NInChI
InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 3,4-Dihydro-1H-naphthalen-2-one
- 2(1H)-Naphthalenone, 3,4-dihydro-
- 3,4-Dihydro-2(1H)-naphthalenone
- β-Tetralone
- 2-Oxotetralin
- 1,2,3,4-Tetrahydro-2-naphthalenone
- NSC 87083
- 1,2,3,4-Tetrahydro-2-oxonaphthalene
Reactions
Work with 2-Tetralone
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
2-Indanone615-13-470 % similar
6-Bromo-2-tetralone4133-35-156 % similar
7-Methoxy-2-tetralone4133-34-051 % similar
3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-150 % similar
1-Indanone83-33-047 % similar
1,2-Benzenediacetic acid7500-53-045 % similar
Dihydrocoumarin119-84-644 % similar
Benzocyclobutene694-87-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds