Cas no 131205-07-7 (Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester)
131205-07-7 structure
Product Name:Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester
CAS No:131205-07-7
MF:C18H20O4
MW:300.349005699158
CID:1228197
PubChem ID:54477284
Update Time:2025-04-20
Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester
- [4-(2-methylbutoxy)phenyl] 4-hydroxybenzoate
- DTXSID70711611
- 4-(2-METHYLBUTOXY)PHENYL 4-HYDROXYBENZOATE
- 131205-07-7
- SCHEMBL9638787
-
- Inchi： 1S/C18H20O4/c1-3-13(2)12-21-16-8-10-17(11-9-16)22-18(20)14-4-6-15(19)7-5-14/h4-11,13,19H,3,12H2,1-2H3
- InChI Key： XMMCDCZBWUJAAA-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC(C1C=CC(=CC=1)O)=O)CC(C)CC
Computed Properties
- Exact Mass: 300.1362
- Monoisotopic Mass: 300.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 328
- 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: 4.6
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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