Cas no 106673-33-0 (8-phenylmethoxyoctanal)
8-phenylmethoxyoctanal structure
Product Name:8-phenylmethoxyoctanal
CAS No:106673-33-0
MF:C15H22O2
MW:234.333984851837
CID:1177997
PubChem ID:11831369
Update Time:2025-04-20
8-phenylmethoxyoctanal Chemical and Physical Properties
Names and Identifiers
-
- 8-phenylmethoxyoctanal
- 8-benzyloxyoctanal
- Octanal, 8-(phenylmethoxy)-
- AGN-PC-00H22U
- 8-benzyloxy-1-octanal
- CTK0G3265
- 8-(benzyloxy)octanal
- ACMC-20mae0
- AG-L-04080
- 8-benzyloxyoctanal; Octanal, 8-(phenylmethoxy)-; AGN-PC-00H22U; 8-benzyloxy-1-octanal; CTK0G3265; 8-(benzyloxy)octanal; ACMC-20mae0; AG-L-04080;
- A1-21122
- DTXSID60474142
- SCHEMBL7784378
- 106673-33-0
-
- Inchi： 1S/C15H22O2/c16-12-8-3-1-2-4-9-13-17-14-15-10-6-5-7-11-15/h5-7,10-12H,1-4,8-9,13-14H2
- InChI Key： CGXBISFNQLVEFE-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)CCCCCCCC=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 174
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
8-phenylmethoxyoctanal Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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