Cas no 56438-07-4 (1,1-Dodecanediol,1,1-diacetate)
56438-07-4 structure
Product Name:1,1-Dodecanediol,1,1-diacetate
CAS No:56438-07-4
MF:C16H30O4
MW:286.407005786896
CID:380629
PubChem ID:41878
Update Time:2025-04-19
1,1-Dodecanediol,1,1-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,1-Dodecanediol,1,1-diacetate
- 1,1-Diacetoxydodecane
- 1-acetyloxydodecyl acetate
- 1-(Acetyloxy)dodecyl acetate
- 1,1-dodecanediol, diacetate
- 56438-07-4
- 1-(Acetyloxy)dodecyl acetate #
- DTXSID90204994
- 1,1-dodecanediol diacetate
- CSDZNKPPSXTLHK-UHFFFAOYSA-N
-
- Inchi: 1S/C16H30O4/c1-4-5-6-7-8-9-10-11-12-13-16(19-14(2)17)20-15(3)18/h16H,4-13H2,1-3H3
- InChI Key: CSDZNKPPSXTLHK-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C(CCCCCCCCCCC)OC(C)=O
Computed Properties
- Exact Mass: 286.2145
- Monoisotopic Mass: 286.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 247
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 5.8
Experimental Properties
- Density: 0.954
- Boiling Point: 356.7°C at 760 mmHg
- Flash Point: 165.2°C
- Refractive Index: 1.443
- PSA: 52.6
1,1-Dodecanediol,1,1-diacetate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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