Cas no 18545-28-3 (3-Oxopropyl acetate)
3-Oxopropyl acetate structure
Product Name:3-Oxopropyl acetate
3-Oxopropyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxopropyl acetate
- Propanal,3-(acetyloxy)-
- Einecs 242-416-7
- 3-Acetoxypropanal
- 3-(Acetyloxy)propanal
- 3-Acetoxypropionaldehyde
- PRSPLAWXBFRHKV-UHFFFAOYSA-N
- Acetic acid 3-oxopropyl ester
- Acetic acid 2-formylethyl ester
- DTXSID90171778
- 18545-28-3
- acetic acid 3-oxo-propyl ester
- NS00026080
- SCHEMBL1882084
-
- Inchi: 1S/C5H8O3/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3
- InChI Key: PRSPLAWXBFRHKV-UHFFFAOYSA-N
- SMILES: O(C(C)=O)CCC=O
Computed Properties
- Exact Mass: 116.047344
- Monoisotopic Mass: 116.047344
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 87.7
- 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
- Topological Polar Surface Area: 43.4
- XLogP3: -0.5
Experimental Properties
- Density: 1.037
- Boiling Point: 165.5°C at 760 mmHg
- Flash Point: 59.2°C
- Refractive Index: 1.4
3-Oxopropyl acetate Related Literature
-
Fan Xu,Jian Xu,Yujing Hu,Xianfu Lin,Qi Wu RSC Adv. 2016 6 76829
-
2. Chemistry of ketene acetals. Part 9. A simple ‘one-pot’ synthesis of 4-hydroxy-δ-lactones and 5,6-dihydro-2-pyrones from 1,1-dimethoxypropene and β-oxy aldehydesRob G. Hofstraat,Jos Lange,Hans W. Scheeren,Rutger J. F. Nivard J. Chem. Soc. Perkin Trans. 1 1988 2315
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Daniel Peral,Daniel Herrera,Julio Real,Teresa Flor,J. Carles Bayón Catal. Sci. Technol. 2016 6 800
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W. Alsalahi,A. M. Trzeciak New J. Chem. 2019 43 16990
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5. 376. The action of diazonium salts on the trichloro-α-nitro-β-acetoxy-paraffinsF. D. Chattaway,J. G. N. Drewitt,G. D. Parkes J. Chem. Soc. 1936 1693
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