Cas no 25607-04-9 (Benzenebutanoic acid, g-ethyl-g-methyl-)
25607-04-9 structure
Product Name:Benzenebutanoic acid, g-ethyl-g-methyl-
CAS No:25607-04-9
MF:C13H18O2
MW:206.280824184418
CID:276148
PubChem ID:316207
Update Time:2025-04-19
Benzenebutanoic acid, g-ethyl-g-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, g-ethyl-g-methyl-
- 4-methyl-4-phenylhexanoic acid
- 4-Methyl-4-phenyl-capronsaeure
- 4-Methyl-4-phenyl-hexansaeure
- 4-Phenyl-4-methyl-hexancarbonsaeure
- 4-Phenyl-4-methyl-hexansaeure
- AC1L7TC7
- AC1Q2RYW
- NSC243717
- AKOS024323562
- DTXSID30311510
- NSC-243717
- 4-methyl-4-phenyl-hexanoic acid
- 25607-04-9
- SCHEMBL13851677
-
- Inchi： 1S/C13H18O2/c1-3-13(2,10-9-12(14)15)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,15)
- InChI Key： NWIRJGSAJHAWMN-UHFFFAOYSA-N
- SMILES： OC(CCC(C)(C1C=CC=CC=1)CC)=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: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.03
- Boiling Point: 321°Cat760mmHg
- Flash Point: 218.1°C
- Refractive Index: 1.512
- PSA: 37.3
- LogP: 3.21910
Benzenebutanoic acid, g-ethyl-g-methyl- Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
25607-04-9 (Benzenebutanoic acid, g-ethyl-g-methyl-) Related Products
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