CAS 68660-11-7 1-(2,3-Dihydro-1-benzofuran-5-yl)propan-1-one (HCID 4067388)

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Basic information

CAS: 68660-11-7
Standard SMILES: CCC(=O)c1ccc2c(c1)CCO2
InChIKey: QYYIGDKFUBVDDO-UHFFFAOYSA-N
Molecular formula: C11H12O2
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.08372962

Names & identifiers

Preferred name: 1-(2,3-Dihydro-1-benzofuran-5-yl)propan-1-one
IUPAC: 1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
English name: 1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one68660-11-71-(2,3-dihydrobenzofuran-5-yl)propan-1-oneMFCD005083941-Propanone, 1-(2,3-dihydro-5-benzofuranyl)-1-(2,3-Dihydrobenzofuran-5-yl)-1-propanone1-(2,3-dihydro-benzofuran-5-yl)-propan-1-oneSCHEMBL1091802QYYIGDKFUBVDDO-UHFFFAOYSA-NAKOS000154271SY176854DB-120824

Show more names

CS-0249458EN300-43567G26253AB00999429-01F663986Z2851371081-(2,3-Dihydro-1-benzofuran-5-yl)propan-1-one - [D92541]

Database identifiers

CAS: 68660-11-7
PubChem CID: 4067388
EC Number: 160-642-3
Nikkaji: J1.931.546K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 59 °C · 59 °C
Boiling point: 174 °C · 174 °C(Press: 22 Torr)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.