Basic information
- CAS
22699-70-3- Standard SMILES
CCc1cccc(C(C)=O)c1- InChIKey
ZRYRILAFFDKOPB-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
1-(3-Ethylphenyl)ethan-1-one is an aromatic ketone.
Names & identifiers
- Preferred name
- Acetophenone, 3-ethyl-
- IUPAC
- 1-(3-ethylphenyl)ethanone
- English name
- 3-Ethylacetophenone
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
3-ETHYLACETOPHENONE22699-70-31-(3-Ethylphenyl)ethan-1-onem-EthylacetophenoneAcetophenone, 3-ethyl-DTXSID20177223RefChem:552425DTXCID2099714995-220-51-(3-Ethylphenyl)ethanone3'-ETHYLACETOPHENONEEthanone,1-(3-ethylphenyl)-
Show more names
3-ethylbenzenethylone1-(3-ethylphenyl)ethan-1-one - [E85378]
MFCD00009660Ethanone, 1-(3-ethylphenyl)-methylacetophenon1-acetyl-3-ethylbenzenem-Acetyl ethyl bem-Acetyl ethyl benzeneSCHEMBL334537orb3030615
Database identifiers
- CAS
22699-70-3- PubChem CID
- 31493
- DTXSID
DTXSID20177223- ChEBI
CHEBI:194773- EC Number
- 995-220-5
- Nikkaji
- J44.124D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 114 °C · 114 °C
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- liquid
- color
- Clear, pale yellow
- CAS DataBase Reference
- 22699 · 22699-70-3(CAS DataBase Reference)
- NIST Chemistry Reference
- M-ethylacetophenone(22699-70-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- risk_code
- 20/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Irritant
- safety_code
- 23-26-36/37/39
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Ethylacetophenone is a ketone compound that can be used as an organic intermediate.
Suppliers54 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
4 records
Compound notes
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