Cas no 2929-93-3 ((4-methylphenyl)methanediyl diacetate)
2929-93-3 structure
Product Name:(4-methylphenyl)methanediyl diacetate
CAS No:2929-93-3
MF:C12H14O4
MW:222.237164020538
CID:1437336
Update Time:2024-08-15
(4-methylphenyl)methanediyl diacetate Chemical and Physical Properties
Names and Identifiers
-
- (4-methylphenyl)methanediyl diacetate
- (4-Methylphenyl)-methanediol diacetate
- (4-Methylphenyl)methylene diacetate
- (Acetyloxy)(4-methylphenyl)methyl acetate
- methanediol, 1-(4-methylphenyl)-, diacetate
- 1-acetoxy-1-(4-methylphenyl)methyl acetate
- Methanediol, 1-(4-methylphenyl)-, 1,1-diacetate
-
- Inchi： 1S/C12H14O4/c1-8-4-6-11(7-5-8)12(15-9(2)13)16-10(3)14/h4-7,12H,1-3H3
- InChI Key： KWISHJOAZDGEFD-UHFFFAOYSA-N
- SMILES： C(OC(=O)C)(OC(=O)C)C1=CC=C(C)C=C1
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 238
- 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: 2
Experimental Properties
- Density: 1.135
- Boiling Point: 246.5°C at 760 mmHg
- Flash Point: 99.3°C
- Refractive Index: 1.505
- PSA: 52.6
(4-methylphenyl)methanediyl diacetate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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