2',3'-Dimethylacetophenone
Basic information
- CAS
2142-71-4- Standard SMILES
CC(=O)c1cccc(C)c1C- InChIKey
YXJIYJZHAPHBHG-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 2',3'-Dimethylacetophenone
- IUPAC
- 1-(2,3-dimethylphenyl)ethanone
- English name
- 2,3-DIMETHYLACETOPHENONE
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
2142-71-42',3'-DIMETHYLACETOPHENONE1-(2,3-dimethylphenyl)ethan-1-oneDTXSID50175691RefChem:439382DTXCID0098182840-160-61-(2,3-Dimethylphenyl)ethanone2,3-DIMETHYLACETOPHENONEMFCD038447352,3-(CH3)=C6H3-COCH3Dexmedetomidine Impurity 13
Show more names
DK6652,3-DIMETHYLACETOPHEMedetomidine Impurity 382,3-DiMethylphenylethanoneETHANONE,1-(2,3-DIMETHYLPHENYL)
SCHEMBL697259CK2574AKOS011841437Ethanone,1-(2,3-dimethylphenyl)-1-(2,3-Dimethylphenyl)ethan-1-one; 1-(2,3-Dimethylphenyl)ethanone;AMY11269Dexmedetomidine Impurity 31SCHEMBL2094362
Database identifiers
- CAS
2142-71-4- PubChem CID
- 16505
- DTXSID
DTXSID50175691- EC Number
- 840-160-6
- Nikkaji
- J1.559.026B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- -14.3 °C · -14.3 °C
- Boiling point
- 108 °C · 108 °C(Press: 13 Torr)
- Density
- 1.0079 g/cm3 · 1.0079 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3
- InChIKey
- YXJIYJZHAPHBHG-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC(C)=C1C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2914390090 · 2914390090
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%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2,3-Dimethylacetophenone is used in the preparation of molecules with in vitro anti-mycobacterial activities
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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