Cas no 111396-81-7 (Propanoic acid,2-methyl-2-(3-pentadecylphenoxy)-)
111396-81-7 structure
Product Name:Propanoic acid,2-methyl-2-(3-pentadecylphenoxy)-
CAS No:111396-81-7
MF:C25H42O3
MW:390.599188327789
CID:139759
PubChem ID:3066832
Update Time:2025-04-19
Propanoic acid,2-methyl-2-(3-pentadecylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-2-(3-pentadecylphenoxy)-
- 2-methyl-2-(3-pentadecylphenoxy)propanoic acid
- Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-
- LDT409
- LDT-409
- BDBM50603423
- DTXSID00149640
- 111396-81-7
- BRN 4511318
- alpha-(3-Pentadecylphenoxy)isobutyric acid
- SCHEMBL10625909
- CHEMBL5187974
- GLXC-25287
-
- Inchi: 1S/C25H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-25(2,3)24(26)27/h17,19-21H,4-16,18H2,1-3H3,(H,26,27)
- InChI Key: SQSAOEAQCNWNBE-UHFFFAOYSA-N
- SMILES: O(C(C(=O)O)(C)C)C1=CC=CC(=C1)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 390.31356
- Monoisotopic Mass: 390.31339520g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 391
- 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: 9.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Propanoic acid,2-methyl-2-(3-pentadecylphenoxy)- Related Literature
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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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2. 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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