Cas no 35852-44-9 (Propanoic acid,2-methyl-, 4-methylpentyl ester)
35852-44-9 structure
Product Name:Propanoic acid,2-methyl-, 4-methylpentyl ester
CAS No:35852-44-9
MF:C10H20O2
MW:172.264603614807
CID:307704
PubChem ID:3084616
Update Time:2025-04-19
Propanoic acid,2-methyl-, 4-methylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 4-methylpentyl ester
- 4-methylpentyl 2-methylpropanoate
- 4-Methylpentyl isobutyrate
- UNII-1PCS2LK3IM
- 4-METHYL-1-PENTYL ISOBUTYRATE
- AKOS006238548
- SCHEMBL4675873
- NS00029934
- 35852-44-9
- 1PCS2LK3IM
- EINECS 252-759-4
- ISOHEXYL ISOBUTYRATE
- DTXSID60189401
- Propanoic acid, 2-methyl-, 4-methylpentyl ester
- AJCVRKAWPQPCAA-UHFFFAOYSA-N
-
- Inchi： 1S/C10H20O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8-9H,5-7H2,1-4H3
- InChI Key： AJCVRKAWPQPCAA-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)CCCC(C)C
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 128
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.8771 (estimate)
- Melting Point: -78°C (estimate)
- Boiling Point: 202.6°C (estimate)
- Refractive Index: 1.3889 (estimate)
- PSA: 26.3
Propanoic acid,2-methyl-, 4-methylpentyl ester Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
35852-44-9 (Propanoic acid,2-methyl-, 4-methylpentyl ester) Related Products
- 2349-07-7(Hexyl isobutyrate)
- 2050-01-3(Isoamyl Isobutyrate)
- 39255-32-8(Ethyl 2-methylpentanoate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 18268-70-7(3,6,9-Trioxaundecamethylenebis-(2-ethylhexanoate))
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 94-28-0(Tri(ethylenglycol)bis-2-ethylhexanoate)
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
