Cas no 38409-63-1 (methyl 4-hexylbenzoate)
methyl 4-hexylbenzoate structure
Product Name:methyl 4-hexylbenzoate
CAS No:38409-63-1
MF:C14H20O2
MW:220.307404518127
CID:1489006
PubChem ID:591633
Update Time:2025-04-21
methyl 4-hexylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-hexylbenzoate
- benzoic acid, 4-hexyl-, methyl ester
- Methyl p-hexylbenzoate
- 4-Hexylbenzoic acid methyl ester
- SCHEMBL6024028
- DB-069688
- 38409-63-1
- CHEMBL4098248
- Methyl 4-hexylbenzoate #
- DTXSID8068094
-
- Inchi： 1S/C14H20O2/c1-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16-2/h8-11H,3-7H2,1-2H3
- InChI Key： RTTGTHPEVMEHEK-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)CCCCCC)=O
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 193
- 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: 5.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
methyl 4-hexylbenzoate Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
38409-63-1 (methyl 4-hexylbenzoate) Related Products
- 123910-88-3(4-(4-Hydroxybutyl)benzoic Acid Methyl Ester)
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