Cas no 64264-20-6 (Benzenepropanal, 4-(phenoxymethyl)-)
64264-20-6 structure
Product Name:Benzenepropanal, 4-(phenoxymethyl)-
CAS No:64264-20-6
MF:C16H16O2
MW:240.297044754028
CID:424343
PubChem ID:71380190
Update Time:2025-04-19
Benzenepropanal, 4-(phenoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, 4-(phenoxymethyl)-
- LogP
- 3-[4-(Phenoxymethyl)phenyl]propanal
- 4-(PHENOXYMETHYL)-BENZENEPROPANAL
- Benzenepropanal,4-(phenoxymethyl)-
- 3-(4-(Phenoxymethyl)phenyl)propanal
- 64264-20-6
- DTXSID70802715
-
- Inchi： 1S/C16H16O2/c17-12-4-5-14-8-10-15(11-9-14)13-18-16-6-2-1-3-7-16/h1-3,6-12H,4-5,13H2
- InChI Key： YTEABGZXLVXRIF-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC1C=CC(=CC=1)CCC=O
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 225
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.088
- Boiling Point: 371.4°C at 760 mmHg
- Flash Point: 161.5°C
- Refractive Index: 1.563
- PSA: 26.3
Benzenepropanal, 4-(phenoxymethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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