Cas no 100482-25-5 (Benzoic acid,4-ethoxy-3,5-dipropyl-)
100482-25-5 structure
Product Name:Benzoic acid,4-ethoxy-3,5-dipropyl-
CAS No:100482-25-5
MF:C15H22O3
MW:250.333384990692
CID:148701
PubChem ID:57878
Update Time:2025-04-19
Benzoic acid,4-ethoxy-3,5-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-ethoxy-3,5-dipropyl-
- 4-ethoxy-3,5-dipropylbenzoic acid
- 3,5-Dipropyl-4-ethoxybenzoic acid
- 4-Aethoxy-3.5-dipropyl-benzoesaeure
- AC1L1NVT
- AC1Q5TML
- BENZOIC ACID, 3,5-DIPROPYL-4-ETHOXY-
- BRN 2620931
- LS-37334
- DTXSID70143317
- 100482-25-5
-
- Inchi： 1S/C15H22O3/c1-4-7-11-9-13(15(16)17)10-12(8-5-2)14(11)18-6-3/h9-10H,4-8H2,1-3H3,(H,16,17)
- InChI Key： HRFCIHYWDXONGU-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC(C(=O)O)=CC=1CCC)CCC
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 236
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 4.5
Experimental Properties
- Density: 1.038
- Boiling Point: 361.7°C at 760 mmHg
- Flash Point: 126.6°C
- Refractive Index: 1.516
- PSA: 46.53
- LogP: 3.68850
Benzoic acid,4-ethoxy-3,5-dipropyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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