Cas no 68776-86-3 (Methyl 2-pentylacetoacetate)
Methyl 2-pentylacetoacetate structure
Product Name:Methyl 2-pentylacetoacetate
CAS No:68776-86-3
MF:C10H18O3
MW:186.248123645782
CID:58859
PubChem ID:10511765
Update Time:2025-04-19
Methyl 2-pentylacetoacetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-pentylacetoacetate
- Methyl 2-acetylheptanoate
- 2-Acetylheptanoic acid methyl ester
- 2-acetyl-heptanoic acid,methyl ester
- Heptanoic acid,2-acetyl-,methyl ester
- methyl (RS)-2-acetylheptanoate
- methyl 2-ethanoylheptanoate
- Methyl-2-acetylheptanoat
- 68776-86-3
- DTXSID60441016
- SIQGUWOXOTYXHP-UHFFFAOYSA-N
- Methyl2-pentylacetoacetate
- SCHEMBL5729722
- AKOS006289717
- A836246
- FT-0715190
- DA-03598
- DTXCID90391838
-
- Inchi： 1S/C10H18O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h9H,4-7H2,1-3H3
- InChI Key： SIQGUWOXOTYXHP-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)=O)CCCCC)=O
Computed Properties
- Exact Mass: 186.12600
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 175
- 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: 2.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 0.957
- Boiling Point: 227 oC
- Flash Point: 89 oC
- PSA: 43.37000
- LogP: 1.94490
Methyl 2-pentylacetoacetate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
68776-86-3 (Methyl 2-pentylacetoacetate) Related Products
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- 1540-29-0(Ethyl 2-acetylhexanoate)
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 695-95-4(Methyl 3-oxocyclobutane-1-carboxylate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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