CAS 104174-28-9 1-(4-Methoxy-2,5-dimethylphenyl)ethanone (HCID 14907149)

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Basic information

CAS: 104174-28-9
Standard SMILES: COc1cc(C)c(C(C)=O)cc1C
InChIKey: HYYOEBPABVJBNX-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.09937969

Names & identifiers

Preferred name: 1-(4-Methoxy-2,5-dimethylphenyl)ethanone
IUPAC: 1-(4-methoxy-2,5-dimethylphenyl)ethanone
English name: 1-(4-methoxy-2,5-dimethylphenyl)ethan-1-one
Molecular formula: C11H14O2
Molecular weight: 178.23

Names & synonyms

104174-28-91-(4-methoxy-2,5-dimethylphenyl)ethanone1-(4-methoxy-2,5-dimethylphenyl)ethan-1-oneMFCD11553435SCHEMBL1753958HYYOEBPABVJBNX-UHFFFAOYSA-NEEA17428AKOS0063239134'-Methoxy-2',5'-dimethylacetophenoneDB-0926891-(4-methoxy-2,5-dimethyl-phenyl)ethanone1-(4-methoxy-2,5-dimethyl-phenyl)-ethanone

Show more names

Ethanone, 1-(4-methoxy-2,5-dimethylphenyl)-

EN300-132228F401260F9994-5224Z1198331248

Database identifiers

CAS: 104174-28-9
PubChem CID: 14907149
EC Number: 182-862-9
Nikkaji: J372.388G

Properties

Computed structural properties

XLogP: 2.3
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: 189

Physicochemical properties

Melting point: 78 · 78-79 °C
Boiling point: 293.9 · 293.9±35.0 °C(Predicted)
Density: 1.004 · 1.004±0.06 g/cm3(Predicted)
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.