Cas no 6641-66-3 (Benzoicacid, 3-methyl-, cyclohexyl ester)
6641-66-3 structure
Product Name:Benzoicacid, 3-methyl-, cyclohexyl ester
CAS No:6641-66-3
MF:C14H18O2
MW:218.291524410248
CID:528001
PubChem ID:226939
Update Time:2025-04-19
Benzoicacid, 3-methyl-, cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 3-methyl-, cyclohexyl ester
- cyclohexyl 3-methylbenzoate
- m-Toluylic acid, cyclohexyl ester
- AC1L5F4P
- AC1Q61KK
- AN-652
- CTK5C4690
- MolPort-002-826-806
- m-Toluic acid, cyclohexyl ester
- NSC17926
- SureCN6056992
- NSC 17926
- Cyclohexyl 3-methylbenzoate #
- BDOUOWCUFMJLNR-UHFFFAOYSA-N
- NS00120345
- Benzoicacid,3-methyl-,cyclohexyl ester
- SCHEMBL6056992
- AN-652/41399046
- DTXSID20280685
- NSC-17926
- 6641-66-3
- AKOS003456683
-
- Inchi： 1S/C14H18O2/c1-11-6-5-7-12(10-11)14(15)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3
- InChI Key： BDOUOWCUFMJLNR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C)C=1)=O)C1CCCCC1
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- 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: 4.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.05
- Boiling Point: 320°C at 760 mmHg
- Flash Point: 143°C
- Refractive Index: 1.528
- PSA: 26.3
- LogP: 3.48450
Benzoicacid, 3-methyl-, cyclohexyl ester Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
6641-66-3 (Benzoicacid, 3-methyl-, cyclohexyl ester) Related Products
- 2412-73-9(Cyclohexyl benzoate)
- 131-15-7(Disecoctyl Phthalate)
- 2049-96-9(Pentyl benzoate)
- 23510-95-4(4-Oxocyclohexyl benzoate)
- 84-61-7(Dicyclohexyl phthalate)
- 6789-88-4(Hexyl benzoate)
- 94-50-8(Octyl benzoate)
- 2915-72-2(Dodecyl benzoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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