CAS 4228-10-8 1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-one (HCID 233976)

Substructure search Find similar structures

Basic information

CAS: 4228-10-8
Standard SMILES: CC(=O)c1ccc2c(c1)CCC2
InChIKey: HCMWPTFPUCPKQM-UHFFFAOYSA-N
Molecular formula: C11H12O
Average molar mass: 160.21 g/mol
Monoisotopic mass: 160.088815

Names & identifiers

Preferred name: 1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-one
IUPAC: 1-(2,3-dihydro-1H-inden-5-yl)ethanone
English name: 5-Acetylindane
Molecular formula: C11H12O
Molecular weight: 160.21

Names & synonyms

1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-oneDTXSID10962408RefChem:1053810DTXCID2013902161-(2,3-dihydro-1H-inden-5-yl)ethanoneMFCD000212461-indane-5-yl-ethanoneNSC33137AKOS000346126Ethanone,3-dihydro-1H-inden-5-yl)-1-(2,3-Dihydro-1H-inden-6-yl)ethanoneZ90665628

Show more names

Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-Acetylindane5-Acetylindan5-AcetylindaneBUTTPARK 95\04-405-Acetylindan >5-Acetylindane,97%Ketone, 5-indanyl methylindan-5-yl methyl ketone

5-Acetyl-indaneNSC625371-(5-Indanyl)ethanoneNCIOpen2_000205SCHEMBL33121orb3022692TPL0345WLZ3294

Database identifiers

CAS: 4228-10-8
PubChem CID: 233976
DTXSID: DTXSID10962408
Nikkaji: J80.771K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 85 · 85-87°
Boiling point: 80 °C · 80 °C
Density: 1.067 · 1.067±0.06 g/cm3(Predicted)
refractive index: 1.56 · 1.5600-1.5640
Flash point: 85 · 85-87°C/0.05mm
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
λmax: 258 nm · 258nm(EtOH)(lit.)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HS Code: 2914390090 · 2914390090