Cas no 23595-49-5 (4-pentyl-m-cresol)
4-pentyl-m-cresol structure
Product Name:4-pentyl-m-cresol
CAS No:23595-49-5
MF:C12H18O
MW:178.270723819733
CID:912711
PubChem ID:19690206
Update Time:2025-04-19
4-pentyl-m-cresol Chemical and Physical Properties
Names and Identifiers
-
- 4-pentyl-m-cresol
- 3-methyl-4-pentylphenol
- DTXSID10599218
- Paraamylmetakresol
- SCHEMBL3963871
- 23595-49-5
-
- Inchi: 1S/C12H18O/c1-3-4-5-6-11-7-8-12(13)9-10(11)2/h7-9,13H,3-6H2,1-2H3
- InChI Key: WTSHXGXZNWHRQM-UHFFFAOYSA-N
- SMILES: OC1C=CC(=C(C)C=1)CCCCC
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 133
- 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: 4.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-pentyl-m-cresol Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
23595-49-5 (4-pentyl-m-cresol) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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