Cas no 29681-97-8 (1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]-)
![1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/30000/29681-97-8x500.png)
29681-97-8 structure
Product Name:1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]-
CAS No:29681-97-8
MF:C14H18O2
MW:218.291524410248
CID:1442585
PubChem ID:13780783
Update Time:2025-04-20
1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]-
- 29681-97-8
- AKOS009112609
- DTXSID601245164
- RECKYPXSRZFZJV-UHFFFAOYSA-N
- SCHEMBL1177079
- 1-[4-(1,1-Dimethylethyl)phenyl]-1,3-butanedione
- (4-t-butylbenzoyl)acetone
-
- Inchi： 1S/C14H18O2/c1-10(15)9-13(16)11-5-7-12(8-6-11)14(2,3)4/h5-8H,9H2,1-4H3
- InChI Key： RECKYPXSRZFZJV-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)C1C=CC(=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 265
- 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: 3.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
29681-97-8 (1,3-Butanedione, 1-[4-(1,1-dimethylethyl)phenyl]-) Related Products
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- 1674-38-0(1-Phenyldodecan-1-one)
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