Cas no 29006-06-2 (methyl 4-butoxybutanoate)
methyl 4-butoxybutanoate structure
Product Name:methyl 4-butoxybutanoate
CAS No:29006-06-2
MF:C9H18O3
MW:174.237423419952
CID:1437532
PubChem ID:34416
Update Time:2025-04-20
methyl 4-butoxybutanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-butoxybutanoate
- Butyric acid, 4-butoxy-, methyl ester
- METHYL 4-BUTOXYBUTYRATE
- SCHEMBL10286759
- Methyl 4-butoxybutanoate #
- GBYWGUUHMOIUIJ-UHFFFAOYSA-N
- Methyl-4-butoxybutyrate
- 29006-06-2
- DTXSID30183219
-
- Inchi： 1S/C9H18O3/c1-3-4-7-12-8-5-6-9(10)11-2/h3-8H2,1-2H3
- InChI Key： GBYWGUUHMOIUIJ-UHFFFAOYSA-N
- SMILES： O(CCCC(=O)OC)CCCC
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 112
- 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: 1.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
methyl 4-butoxybutanoate Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
29006-06-2 (methyl 4-butoxybutanoate) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 106-65-0(Dimethyl succinate)
- 106-79-6(Dimethyl sebacate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 110-42-9(Methyl decanoate)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 109-43-3(dibutyl sebacate)
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