Cas no 3490-60-6 (2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol)
3490-60-6 structure
Product Name:2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol
CAS No:3490-60-6
MF:C18H22O2
MW:270.366085529327
CID:919662
PubChem ID:339075
Update Time:2025-04-19
2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol
- AC1L7P64
- NSC364008
- NSC-364008
- DTXSID80320758
- DS-013424
- 3490-60-6
-
- Inchi： 1S/C18H22O2/c1-13-5-9-15(10-6-13)18(20,17(3,4)19)16-11-7-14(2)8-12-16/h5-12,19-20H,1-4H3
- InChI Key： SFTAVAMIMWRGKS-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(C)=CC=1)(C1C=CC(C)=CC=1)C(C)(C)O
Computed Properties
- Exact Mass: 270.16206
- Monoisotopic Mass: 270.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 40.5
- XLogP3: 3.2
Experimental Properties
- Density: 1.095
- Boiling Point: 441.2°C at 760 mmHg
- Flash Point: 204.9°C
- Refractive Index: 1.576
- PSA: 40.46
- LogP: 3.31020
2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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