Basic information
- CAS
75251-27-3- Standard SMILES
CC(=O)Cc1cc(C)cc(C)c1- InChIKey
SQEPTUPSJXFZIF-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 1-(3,5-Dimethylphenyl)propan-2-one
- IUPAC
- 1-(3,5-dimethylphenyl)propan-2-one
Names & synonyms
1-(3,5-dimethylphenyl)propan-2-one75251-27-3RefChem:422962971-920-6SCHEMBL10865907AKOS010258509CS-0275846EN300-1252395F683801
Database identifiers
- CAS
75251-27-3- PubChem CID
- 12936636
- EC Number
- 971-920-6
- Nikkaji
- J3.433.858B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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