Cas no 62171-57-7 (Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester)
62171-57-7 structure
Product Name:Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester
CAS No:62171-57-7
MF:C13H18O2
MW:206.280824184418
CID:455647
PubChem ID:23590711
Update Time:2025-04-19
Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester
- ethyl 3-tert-butylbenzoate
- MFCD11554992
- SCHEMBL1787779
- 3-t-Butylbenzoic acid ethyl ester
- 3-tert-butylbenzoic acid ethyl ester
- DTXSID30635102
- Ethyl 3-(tert-butyl)benzoate
- 62171-57-7
-
- Inchi： 1S/C13H18O2/c1-5-15-12(14)10-7-6-8-11(9-10)13(2,3)4/h6-9H,5H2,1-4H3
- InChI Key： DVCQPCXMSXSXCL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CC(=C1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB570857-1g |
3-t-Butylbenzoic acid ethyl ester, 97%; . |
62171-57-7 | 97% | 1g |
€1285.20 | 2025-04-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661407-1g |
Ethyl 3-(tert-butyl)benzoate |
62171-57-7 | 98% | 1g |
￥7287.00 | 2024-05-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661407-5g |
Ethyl 3-(tert-butyl)benzoate |
62171-57-7 | 98% | 5g |
￥19061.00 | 2024-05-06 | |
| A2B Chem LLC | AZ73479-1g |
Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester |
62171-57-7 | 97% | 1g |
$993.00 | 2024-04-19 | |
| A2B Chem LLC | AZ73479-5g |
Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester |
62171-57-7 | 97% | 5g |
$2523.00 | 2024-04-19 |
Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
62171-57-7 (Benzoic acid, 3-(1,1-dimethylethyl)-, ethyl ester) Related Products
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