Cas no 900-02-7 (1,4-Benzenediol,2,5-bis(1,1-dimethylethyl)-, 1,4-diacetate)
900-02-7 structure
Product Name:1,4-Benzenediol,2,5-bis(1,1-dimethylethyl)-, 1,4-diacetate
1,4-Benzenediol,2,5-bis(1,1-dimethylethyl)-, 1,4-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol,2,5-bis(1,1-dimethylethyl)-, 1,4-diacetate
- (4-acetyloxy-2,5-ditert-butylphenyl) acetate
- NSC404291
- 900-02-7
- NSC-404291
- J-400174
- 2,4-Diacetoxy-1,4-di-tert-butylbenzene
- DTXSID70323556
-
- Inchi: 1S/C18H26O4/c1-11(19)21-15-9-14(18(6,7)8)16(22-12(2)20)10-13(15)17(3,4)5/h9-10H,1-8H3
- InChI Key: WLKNHGFKRADSDX-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1C=C(C(=CC=1C(C)(C)C)OC(C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 306.183109
- Monoisotopic Mass: 306.183109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 374
- 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: 52.6
- XLogP3: 4.8
Experimental Properties
- Density: 1.027
- Boiling Point: 390.1°Cat760mmHg
- Flash Point: 185.4°C
- Refractive Index: 1.486
1,4-Benzenediol,2,5-bis(1,1-dimethylethyl)-, 1,4-diacetate Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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5. 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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