Cas no 918500-23-9 (Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester)
918500-23-9 structure
Product Name:Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester
CAS No:918500-23-9
MF:C31H44O3
MW:464.679269790649
CID:774326
PubChem ID:16096797
Update Time:2025-04-19
Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester
- methyl 16-[4-(4-methylbenzoyl)phenyl]hexadecanoate
- 918500-23-9
- DTXSID10582600
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- Inchi: 1S/C31H44O3/c1-26-18-22-28(23-19-26)31(33)29-24-20-27(21-25-29)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-30(32)34-2/h18-25H,3-17H2,1-2H3
- InChI Key: WWDAWFVERXHSFJ-UHFFFAOYSA-N
- SMILES: O(C)C(CCCCCCCCCCCCCCCC1C=CC(C(C2C=CC(C)=CC=2)=O)=CC=1)=O
Computed Properties
- Exact Mass: 464.32904526g/mol
- Monoisotopic Mass: 464.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 19
- Complexity: 527
- 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: 10.6
- Topological Polar Surface Area: 43.4?2
Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
918500-23-9 (Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester) Related Products
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