Cas no 6966-86-5 (Propanoic acid,2-[4-(1-methylpropyl)phenoxy]-)
![Propanoic acid,2-[4-(1-methylpropyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/7000/6966-86-5x500.png)
6966-86-5 structure
Product Name:Propanoic acid,2-[4-(1-methylpropyl)phenoxy]-
CAS No:6966-86-5
MF:C13H18O3
MW:222.280224323273
CID:518831
PubChem ID:249654
Update Time:2025-04-19
Propanoic acid,2-[4-(1-methylpropyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-[4-(1-methylpropyl)phenoxy]-
- 2-[4-(butan-2-yl)phenoxy]propanoic acid
- AC1L6OX3
- AC1Q5SUS
- AG-J-41618
- AR-1D6884
- CTK5D0838
- NSC68210
- NSC-68210
- 2-(4-butan-2-ylphenoxy)propanoic acid
- DTXSID20290345
- 6966-86-5
-
- Inchi： 1S/C13H18O3/c1-4-9(2)11-5-7-12(8-6-11)16-10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)
- InChI Key： CGXMDIBLXDQTMH-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)C)C1C=CC(=CC=1)C(C)CC
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.068
- Boiling Point: 338.1°Cat760mmHg
- Flash Point: 122.9°C
- Refractive Index: 1.513
- PSA: 46.53
Propanoic acid,2-[4-(1-methylpropyl)phenoxy]- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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