Cas no 89279-49-2 (Butanal, 2-(phenylmethoxy)-)
Butanal, 2-(phenylmethoxy)- structure
Product Name:Butanal, 2-(phenylmethoxy)-
CAS No:89279-49-2
MF:C11H14O2
MW:178.227663516998
CID:605435
PubChem ID:178409
Update Time:2025-04-19
Butanal, 2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Butanal, 2-(phenylmethoxy)-
- 2-phenylmethoxybutanal
- DTXSID00929904
- Buanal, 2-(phenylmethoxy)-
- 89279-49-2
- SCHEMBL5049277
- benzyloxybutanal
- 137819-87-5
- 2-(benzyloxy)butanal
-
- Inchi： 1S/C11H14O2/c1-2-11(8-12)13-9-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3
- InChI Key： YTXIEUATJGWTOC-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C=O)CC
Computed Properties
- Exact Mass: 178.099
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.013
- Boiling Point: 244.2°C at 760 mmHg
- Flash Point: 92.2°C
- Refractive Index: 1.498
Butanal, 2-(phenylmethoxy)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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