Basic information
- CAS
16108-50-2- Standard SMILES
CC(=O)c1c(C)cc(C)cc1O- InChIKey
AAPOVDIBCPRZPC-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3-Acetamidophenyl acetate
- IUPAC
- 1-(2-hydroxy-4,6-dimethylphenyl)ethanone
- English name
- 2'-hydroxy-4',6'-dimethylacetophenone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
1-(2-hydroxy-4,6-dimethylphenyl)ethanone1-(2-hydroxy-4,6-dimethylphenyl)ethan-1-oneEthanone, 1-(2-hydroxy-4,6-dimethylphenyl)-2'-Hydroxy-4',6'-dimethylacetophenone549XS9B8EDDTXSID70167058ACETOPHENONE, 2'-HYDROXY-4',6'-DIMETHYL-RefChem:92771DTXCID2089549DTXCID102341123-ACETAMIDOPHENYL ACETATEDTXSID60282961
Show more names
2-hydroxy-4,6-dimethylbenzenethylone4',6'-Dimethyl-2'-hydroxyacetophenoneJR-8510, 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone, 97%
16108-50-2EINECS 240-274-0MFCD000201282-hydroxy-4,6-dimethylacetophenone2/'-hydroxy-4/',6/'-dimethylacetophenone2',4'-Dimethyl-6'-hydroxyacetophenoneUNII-549XS9B8EDSCHEMBL2648126
Database identifiers
- CAS
16108-50-2- PubChem CID
- 85287
- DTXSID
DTXSID70167058- UNII
- 549XS9B8ED
- EC Number
- 240-274-0
- Nikkaji
- J286.822I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 62 °C · 62°C
- Boiling point
- 140 · 140-141 °C(Press: 18 Torr)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.38 · 10.38±0.15(Predicted)
- FDA UNII
- 549 XS9B8ED · 549XS9B8ED
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of acetic acid on 3,5-dimethylphenol with boron trifluoride at 60–70° (93%).
Suppliers30 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉创浩生物科技有限公司13361917963 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
Related reactions
1 records
Compound notes
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