Cas no 7476-80-4 (3-methylphenyl butanoate)
3-methylphenyl butanoate structure
Product Name:3-methylphenyl butanoate
CAS No:7476-80-4
MF:C11H14O2
MW:178.227663516998
CID:980303
PubChem ID:346241
Update Time:2025-04-19
3-methylphenyl butanoate Chemical and Physical Properties
Names and Identifiers
-
- 3-methylphenyl butanoate
- Butyric acid 3-methylphenyl ester
- Butyric acid, m-tolyl ester
- m-Cresyl butanoate
- NSC404401
- Butyric acid, 3-methylphenyl ester
- NSC-404401
- (3-methylphenyl)butanoate
- 7476-80-4
- 3-Methylphenyl butyrate #
- butyric acid m-tolyl ester
- SCHEMBL4810160
- DTXSID40323604
- GYQSJJGXMUTZPU-UHFFFAOYSA-N
- Butanoic acid, 3-methylphenyl ester
-
- Inchi： 1S/C11H14O2/c1-3-5-11(12)13-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
- InChI Key： GYQSJJGXMUTZPU-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 166
- 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: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.01
- Boiling Point: 249.6°C at 760 mmHg
- Flash Point: 95.2°C
- Refractive Index: 1.497
- PSA: 26.3
3-methylphenyl butanoate Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
7476-80-4 (3-methylphenyl butanoate) Related Products
- 22180-02-5(4-(4-methylphenoxy)butanoic acid)
- 59558-23-5(Octanoic acid,4-methylphenyl ester)
- 50262-49-2(Butanoic acid,4-formylphenyl ester)
- 10415-86-8(Pentanoic acid,4-methylphenyl ester)
- 10024-57-4(Dodecanoic acid,4-methylphenyl ester)
- 55066-56-3(Butanoic acid,3-methyl-, 4-methylphenyl ester)
- 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)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
