1-(3,4-Diethoxyphenyl)ethan-1-one
Basic information
- CAS
1137-71-9- Standard SMILES
CCOc1ccc(C(C)=O)cc1OCC- InChIKey
GYFUKZCPECCHTB-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 1-(3,4-Diethoxyphenyl)ethan-1-one
- IUPAC
- 1-(3,4-diethoxyphenyl)ethanone
- English name
- 1-(3,4-DIETHOXYPHENYL)ETHANONE
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
1-(3,4-diethoxyphenyl)ethan-1-oneRefChem:422806969-390-61-(3,4-diethoxyphenyl)ethanone1137-71-9Ethanone, 1-(3,4-diethoxyphenyl)-3',4'-DiethoxyacetophenoneMFCD00277131Ethanone,1-(3,4-diethoxyphenyl)-orb3030929SCHEMBL3034161SCHEMBL3034164
Show more names
SCHEMBL29463757DTXSID50351554Fr13151ALBB-004402BBL004029CCG-42218STK288941AKOS000200973
Database identifiers
- CAS
1137-71-9- PubChem CID
- 703265
- DTXSID
DTXSID50351554- EC Number
- 969-390-6
- Nikkaji
- J1.915.317G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 188 · 188-192 °C(Press: 15 Torr)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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