Cas no 5420-68-8 (Phenyl 2-acetyloxy-2-methylpropanoate)
5420-68-8 structure
Product Name:Phenyl 2-acetyloxy-2-methylpropanoate
CAS No:5420-68-8
MF:C12H14O4
MW:222.237164020538
CID:1587994
PubChem ID:222206
Update Time:2025-04-21
Phenyl 2-acetyloxy-2-methylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- Phenyl 2-acetyloxy-2-methylpropanoate
- NSC404966
- AC1Q61JX
- SureCN8460286
- CTK4J9979
- AR-1L0395
- phenyl 2-(acetyloxy)-2-methylpropanoate
- NSC7741
- AC1L5BGN
- NSC404966; AC1Q61JX; SureCN8460286; CTK4J9979; AR-1L0395; phenyl 2-(acetyloxy)-2-methylpropanoate; NSC7741; AC1L5BGN;
- SCHEMBL8460286
- DTXSID90278493
- NSC-7741
- NSC-404966
- 5420-68-8
-
- Inchi： 1S/C12H14O4/c1-9(13)16-12(2,3)11(14)15-10-7-5-4-6-8-10/h4-8H,1-3H3
- InChI Key： NSWWZAPYORYSMM-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C(=O)OC1C=CC=CC=1)(C)C
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.13
- Boiling Point: 309.8°C at 760 mmHg
- Flash Point: 150°C
- Refractive Index: 1.5
- PSA: 52.6
Phenyl 2-acetyloxy-2-methylpropanoate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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