Cas no 26311-44-4 (Benzoic acid,4-pentyl-, methyl ester)
26311-44-4 structure
Product Name:Benzoic acid,4-pentyl-, methyl ester
CAS No:26311-44-4
MF:C13H18O2
MW:206.280824184418
CID:278888
PubChem ID:117775
Update Time:2025-04-19
Benzoic acid,4-pentyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-pentyl-, methyl ester
- methyl 4-pentylbenzoate
- Methyl p-pentylbenzoate
- 4-N-AMYLBENZOIC ACID METHYL ESTER
- DTXSID4067199
- Q63399551
- EINECS 247-606-3
- 26311-44-4
- NS00028084
- SCHEMBL8044139
- STDGBCHZHMQCAE-UHFFFAOYSA-N
- Benzoic acid, 4-pentyl-, methyl ester
-
- Inchi： 1S/C13H18O2/c1-3-4-5-6-11-7-9-12(10-8-11)13(14)15-2/h7-10H,3-6H2,1-2H3
- InChI Key： STDGBCHZHMQCAE-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)CCCCC)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 181
- 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: 4.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.983
- Boiling Point: 291.7°Cat760mmHg
- Flash Point: 129.6°C
- Refractive Index: 1.498
- PSA: 26.3
Benzoic acid,4-pentyl-, methyl ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
26311-44-4 (Benzoic acid,4-pentyl-, methyl ester) Related Products
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