Cas no 68109-57-9 (2,2-Di(sec-butoxy)acetophenone)
68109-57-9 structure
Product Name:2,2-Di(sec-butoxy)acetophenone
CAS No:68109-57-9
MF:C16H24O3
MW:264.359965324402
CID:820837
PubChem ID:93376
Update Time:2025-04-19
2,2-Di(sec-butoxy)acetophenone Chemical and Physical Properties
Names and Identifiers
-
- 2,2-Di(sec-butoxy)acetophenone
- 2,2-di(butan-2-yloxy)-1-phenylethanone
- 2,2'-DI(SEC-BUTOXY)ACETOPHENONE
- 2,2-Bis(1-methylpropoxy)-1-phenylethan-1-one
- 2,2-Di-sec-butoxyacetophenone
- EINECS 268-476-4
- Ethanone,2,2-bis(1-methylpropoxy)-1-phenyl
- DTXSID40887150
- NS00063345
- 2,2-di-s-butoxyacetophenone
- 2,2-di-sec-butoxy-1-phenylethanone
- 68109-57-9
- 2,2-di-(sec-Butoxy)acetophenone
- SCHEMBL290422
- FT-0737306
- Ethanone, 2,2-bis(1-methylpropoxy)-1-phenyl-
- CCRIS 5221
-
- Inchi： 1S/C16H24O3/c1-5-12(3)18-16(19-13(4)6-2)15(17)14-10-8-7-9-11-14/h7-13,16H,5-6H2,1-4H3
- InChI Key： OHQSQCACEXDHAJ-UHFFFAOYSA-N
- SMILES： O(C(C(C1C=CC=CC=1)=O)OC(C)CC)C(C)CC
Computed Properties
- Exact Mass: 264.17300
- Monoisotopic Mass: 264.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.99
- Boiling Point: 351.8°C at 760 mmHg
- Flash Point: 157.8°C
- Refractive Index: 1.486
- PSA: 35.53000
- LogP: 3.82560
2,2-Di(sec-butoxy)acetophenone Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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