Cas no 5343-57-7 (2-benzyl-2-ethylbutanoic Acid)
2-benzyl-2-ethylbutanoic Acid structure
Product Name:2-benzyl-2-ethylbutanoic Acid
CAS No:5343-57-7
MF:C13H18O2
MW:206.280824184418
CID:1582650
PubChem ID:219318
Update Time:2025-04-21
2-benzyl-2-ethylbutanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-benzyl-2-ethylbutanoic Acid
- 2-(benzoylamino)-2-ethylbutanoic acid
- 3-Benzyl-pentan-carbonsaeure-(3)
- AR-1C8497
- AG-J-40720
- 2-ethyl-2-benzoylamino-butyric acid
- AC1L5HI1
- NSC23282
- 2-Aethyl-2-benzoylamino-buttersaeure
- CTK5A1972
- AC1Q5KX7
- Diaethyl-benzyl-essigsaeure
- 2-Aethyl-2-benzyl-buttersaeure
- 2-ethyl-2-benzyl-butyric acid
- 2-(benzoylamino)-2-ethylbutanoic acid; 3-Benzyl-pentan-carbonsaeure-(3); AR-1C8497; AG-J-40720; 2-ethyl-2-benzoylamino-butyric acid; AC1L5HI1; NSC23282; 2-Aethyl-2-benzoylamino-buttersaeure; CTK5A1972; AC1Q5KX7; Diaethyl-benzyl-essigsaeure; 2-Aethyl-2-benzyl-buttersaeure; 2-ethyl-2-benzyl-butyric acid;
- 2-ethyl-2-(phenylmethyl)butanoic acid
- DTXSID40968099
- SCHEMBL11529107
- 5343-57-7
- NSC-471
- A832232
- AKOS012033540
- NSC471
-
- Inchi： 1S/C13H18O2/c1-3-13(4-2,12(14)15)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,15)
- InChI Key： UZFOEXICQDPNLN-UHFFFAOYSA-N
- SMILES： OC(C(CC)(CC)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 201
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.034
- Boiling Point: 319.8°C at 760 mmHg
- Flash Point: 216.9°C
- Refractive Index: 1.518
- PSA: 37.3
2-benzyl-2-ethylbutanoic Acid Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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