Cas no 96407-93-1 (Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester)
96407-93-1 structure
Product Name:Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester
CAS No:96407-93-1
MF:C29H42O4
MW:454.641389369965
CID:751449
PubChem ID:71331441
Update Time:2025-04-19
Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester
- (4-hydroxyphenyl) 4-hexadecoxybenzoate
- 96407-93-1
- 4-HYDROXYPHENYL 4-(HEXADECYLOXY)BENZOATE
- DTXSID90760025
-
- Inchi： 1S/C29H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-27-20-16-25(17-21-27)29(31)33-28-22-18-26(30)19-23-28/h16-23,30H,2-15,24H2,1H3
- InChI Key： QKZTVDCSWXOSAB-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC2C=CC(=CC=2)O)=CC=1)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 454.30830982g/mol
- Monoisotopic Mass: 454.30830982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 19
- Complexity: 464
- 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: 10.8
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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
96407-93-1 (Benzoic acid, 4-(hexadecyloxy)-, 4-hydroxyphenyl ester) Related Products
- 4906-25-6(Methyl 4-n-butoxybenzoate)
- 15872-43-2(4-(N-Nonyloxy)Benzoic Acid)
- 15872-44-3(4-Undecyloxybenzoic Acid)
- 15872-48-7(p-Hexadecyloxybenzoic Acid)
- 62435-37-4(Methyl 4-n-octyloxybenzoate)
- 2493-84-7(4-N-Octyloxybenzoic Acid)
- 15872-41-0(4-N-Pentyloxybenzoic Acid)
- 1142-39-8(4-(Hexyloxy)benzoic Acid)
- 2312-15-4(4-(Dodecyloxy)benzoic acid)
- 15872-42-1(4-(Heptyloxy)benzoic Acid)
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