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3128-06-1,MFCD00004412
Catalog No.:AA003MVC

3128-06-1 | 4-Acetylbutyric acid

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1g
97%
in stock  
$7.00   $5.00
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5g
97%
in stock  
$15.00   $11.00
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10g
97%
in stock  
$26.00   $18.00
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25g
97%
in stock  
$64.00   $45.00
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100g
97%
in stock  
$211.00   $148.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MVC
Chemical Name:
4-Acetylbutyric acid
CAS Number:
3128-06-1
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00004412
SMILES:
CC(=O)CCCC(=O)O
NSC Number:
5281
Properties
Properties
 
BP:
275.5°C at 760 mmHg  
Form:
Liquid  
MP:
13-14 °C  
Refractive Index:
n20/D 1.4451(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
118  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
-0.3  

Downstream Synthesis Route

[1]He,Liangyou;Horiuchi,C.Akira[BulletinoftheChemicalSocietyofJapan,1999,vol.72,#11,p.2515-2521]

[2]Xin,Hong;Duan,Xin-Hua;Yang,Mingyu;Zhang,Yiwen;Guo,Li-Na[JournalofOrganicChemistry,2021,vol.86,#12,p.8263-8273]

[3]He,Tianyu;Chen,Dengfeng;Qian,Shencheng;Zheng,Yu;Huang,Shenlin[OrganicLetters,2021,vol.23,#16,p.6525-6529]

[4]Wallach;Collmann[JustusLiebigsAnnalenderChemie,1904,vol.331,p.324]

[5]Wallach;Collmann[JustusLiebigsAnnalenderChemie,1904,vol.331,p.324]

[1]Yang;Zhang[JournalofOrganicChemistry,2001,vol.66,#14,p.4814-4818]

[2]China,H.;Dohi,T.;Fujitake,M.;Kageyama,N.;Kikushima,K.;Yatabe,H.[RussianChemicalBulletin,2020,vol.69,#9,p.1804-1810][Izv.Akad.Nauk,Ser.Khim.,2020,#9,p.1804-1810,7]

[3]Cella,JamesA.[SyntheticCommunications,1983,vol.13,#2,p.93-98]

[4]Harries;Neresheimer[ChemischesZentralblatt,1916,vol.87,#II,p.993]

[5]Harries;Neresheimer[ChemischesZentralblatt,1916,vol.87,#II,p.991]Roy[Dissertation<Jena1910>,S.34]

[1]Kukovinets;Yamansarova;Kasradze;Lozhkina;Zainullin;Abdullin[RussianJournalofOrganicChemistry,2005,vol.41,#5,p.673-677]

[2]Chavanne;deVogel[BulletindesSocietesChimiquesBelges,1928,vol.37,p.142][ChemischesZentralblatt,1928,vol.99,#II,p.37]

[3]Miyamoto,Kazunori;Ochiai,Masahito;Sei,Yoshihisa;Yamaguchi,Kentaro[JournaloftheAmericanChemicalSociety,2009,vol.131,#4,p.1382-1383]

[1]JournaloftheIndianChemicalSociety,1952,vol.29,p.336,339

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1944,vol.64,p.199    Chem.Abstr.,1951,p.2862

[2]Patent:CN109942473,2019,A.Locationinpatent:Paragraph0038-0041

Literature

Title: Synthesis of peptidomimetics, δ- and ε-lactam tetrazoles.

Journal: Molecular diversity 20120801

Title: Purification, characterization, and cloning of a bifunctional molybdoenzyme with hydratase and alcohol dehydrogenase activity.

Journal: Applied microbiology and biotechnology 20110301

Title: Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect.

Journal: The journal of physical chemistry. B 20070607

Title: [Effect of teeth protector on dental injuries during general anesthesia].

Journal: Masui. The Japanese journal of anesthesiology 20030101

Title: Alicycliphilus denitrificans gen. nov., sp. nov., a cyclohexanol-degrading, nitrate-reducing beta-proteobacterium.

Journal: International journal of systematic and evolutionary microbiology 20030101

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SDS
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