Cas no 62702-43-6 (Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester)
62702-43-6 structure
Product Name:Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester
CAS No:62702-43-6
MF:C13H18O4
MW:238.279624462128
CID:434707
PubChem ID:71383677
Update Time:2025-04-19
Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester
- 6-hydroxyhexyl 4-hydroxybenzoate
- 62702-43-6
- DTXSID00805976
-
- Inchi： 1S/C13H18O4/c14-9-3-1-2-4-10-17-13(16)11-5-7-12(15)8-6-11/h5-8,14-15H,1-4,9-10H2
- InChI Key： KCOCIPSMXWEAME-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)O)=O)CCCCCCO
Computed Properties
- Exact Mass: 238.12054
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 210
- 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: 3.1
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
62702-43-6 (Benzoic acid, 4-hydroxy-, 6-hydroxyhexyl ester) Related Products
- 2664-60-0(Dodecyl 4-hydroxybenzoate)
- 10361-12-3(Octadecyl 3,4,5-Trihydroxybenzoate)
- 94-13-3(Propylparaben)
- 94-26-8(Butylparaben)
- 1085-12-7(n-Heptyl 4-Hydroxybenzoate)
- 1034-01-1(Octyl gallate)
- 1166-52-5(Dodecyl gallate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 6969-49-9(Octyl salicylate)
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