Cas no 19965-72-1 (2,6-dimethyl-4-phenylheptan-4-ol)
19965-72-1 structure
Product Name:2,6-dimethyl-4-phenylheptan-4-ol
CAS No:19965-72-1
MF:C15H24O
MW:220.350464820862
CID:1390870
PubChem ID:251341
Update Time:2025-04-20
2,6-dimethyl-4-phenylheptan-4-ol Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dimethyl-4-phenylheptan-4-ol
- AC1L5JMY
- AG-J-67772
- NCIOpen2_003607
- NSC71641
- Diisobutyl-phenyl-carbinol
- AC1Q76YR
- CTK4E2853
- AR-1D4981
- AC1L5JMY; AG-J-67772; NCIOpen2_003607; NSC71641; Diisobutyl-phenyl-carbinol; AC1Q76YR; CTK4E2853; AR-1D4981;
- DTXSID50290898
- 19965-72-1
- NSC-71641
-
- Inchi： 1S/C15H24O/c1-12(2)10-15(16,11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
- InChI Key： NSUDIPWPRVFYDC-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)(CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 180
- 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: 4.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.93
- Boiling Point: 263.5°Cat760mmHg
- Flash Point: 116.7°C
- Refractive Index: 1.496
- PSA: 20.23
- LogP: 3.96640
2,6-dimethyl-4-phenylheptan-4-ol Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
19965-72-1 (2,6-dimethyl-4-phenylheptan-4-ol) Related Products
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