Basic information
- CAS
2876-62-2- Standard SMILES
CCCC(=O)c1cccc2ccccc12- InChIKey
HHEPNSXKXOXNQV-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 1-(1-Naphthalenyl)-1-butanone
- IUPAC
- 1-naphthalen-1-ylbutan-1-one
- English name
- 1-naphthalen-1-ylbutan-1-one
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
2876-62-21'-BUTYRONAPHTHONE1-(1-Naphthalenyl)-1-butanoneDTXSID50182946RefChem:1053759DTXCID901054371-(NAPHTHALEN-1-YL)BUTAN-1-ONE1-naphthalen-1-ylbutan-1-one1-naphthalen-1-yl-butan-1-oneBRN 2328068butyrylnaphthalene1-Butanone, 1-(1-naphthalenyl)-
Show more names
Propyl 1-naphtyl ketone(1-Naphtyl)propyl ketone1-(Naphthalen-1-yl)-1-butanone
4-07-00-01305 (Beilstein Handbook Reference)SCHEMBL294090SCHEMBL1716864SCHEMBL5843317SCHEMBL29875679HHEPNSXKXOXNQV-UHFFFAOYSA-NMFCD01737440AKOS012007796
Database identifiers
- CAS
2876-62-2- PubChem CID
- 17890
- DTXSID
DTXSID50182946- Nikkaji
- J55.503G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 317 °C · 317°C (estimate)
- Density
- 1.0861 · 1.0861
- refractive index
- 1.596 · 1.5960 (estimate)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…