Cas no 4220-74-0 (propan-2-yl 3-(propan-2-yloxy)propanoate)
4220-74-0 structure
Product Name:propan-2-yl 3-(propan-2-yloxy)propanoate
CAS No:4220-74-0
MF:C9H18O3
MW:174.237423419952
CID:1513451
PubChem ID:13582323
Update Time:2025-04-21
propan-2-yl 3-(propan-2-yloxy)propanoate Chemical and Physical Properties
Names and Identifiers
-
- propan-2-yl 3-(propan-2-yloxy)propanoate
- Isopropyl 3-isopropoxypropanoate
- propanoic acid, 3-(1-methylethoxy)-, 1-methylethyl ester
- LogP
- propan-2-yl 3-propan-2-yloxypropanoate
- 4220-74-0
- Propan-2-yl 3-[(propan-2-yl)oxy]propanoate
- DTXSID00544318
- SCHEMBL7741371
-
- Inchi： 1S/C9H18O3/c1-7(2)11-6-5-9(10)12-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key： KKIHPJWQDHMAFR-UHFFFAOYSA-N
- SMILES： O(CCC(=O)OC(C)C)C(C)C
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 130
- 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: 1.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.928
- Boiling Point: 218.1°C at 760 mmHg
- Flash Point: 72.7°C
- Refractive Index: 1.416
- PSA: 35.53
propan-2-yl 3-(propan-2-yloxy)propanoate Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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