Cas no 25724-54-3 (1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate)
25724-54-3 structure
Product Name:1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate
CAS No:25724-54-3
MF:C22H26O4
MW:354.439446926117
CID:284135
PubChem ID:33153
Update Time:2025-04-19
1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate
- 5-(benzoyloxymethyl)heptyl benzoate
- Benzoic acid, 2-ethylhexanediol diester
- 6-(BENZOYLOXY)-2-ETHYLHEXYL BENZOATE
- HEXANEDIOL, 2-ETHYL-, DIBENZOATE
- DTXSID90948609
- 25724-54-3
-
- Inchi： 1S/C22H26O4/c1-2-18(17-26-22(24)20-14-7-4-8-15-20)11-9-10-16-25-21(23)19-12-5-3-6-13-19/h3-8,12-15,18H,2,9-11,16-17H2,1H3
- InChI Key： CVQOBYGTHWIAGJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC(CC)CCCCOC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 354.18318
- Monoisotopic Mass: 354.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 12
- Complexity: 408
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 5.5
Experimental Properties
- Density: 1.0924 (rough estimate)
- Boiling Point: 447.66°C (rough estimate)
- Flash Point: 233.8°C
- Refractive Index: 1.6000 (estimate)
- PSA: 52.6
1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
25724-54-3 (1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate) Related Products
- 18750-05-5(Benzyl 2-Ethylhexyl Phthalate)
- 2049-96-9(Pentyl benzoate)
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 6422-86-2(Dioctyl Terepthalate)
- 68515-49-1(1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich)
- 27554-26-3(Diisooctyl phthalate)
- 6789-88-4(Hexyl benzoate)
- 94-46-2(Isopentyl benzoate)
- 94-50-8(Octyl benzoate)
- 137-89-3(Bis(2-ethylhexyl) Benzene-1,3-dicarboxylate)
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