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2935-44-6,MFCD00004557
Catalog No.:AA002Y1W

2935-44-6 | 2,5-Hexanediol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$14.00   $10.00
- +
5g
98%
in stock  
$44.00   $31.00
- +
10g
95%
in stock  
$83.00   $58.00
- +
25g
98%
in stock  
$134.00   $94.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002Y1W
Chemical Name:
2,5-Hexanediol
CAS Number:
2935-44-6
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD00004557
SMILES:
CC(CCC(O)C)O
NSC Number:
3699
Properties
Properties
 
BP:
216 °C  
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
46.5  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Tagliavini,Giuseppe;Marton,Daniele;Furlani,Donatella[Tetrahedron,1989,vol.45,#4,p.1187-1196]

[2]Grochowski,MatthewR.;Yang,Weiran;Sen,Ayusman[Chemistry-AEuropeanJournal,2012,vol.18,#39,p.12363-12371]

[3]Kotkar,Dilip;Mahajan,SatishW.;Mandal,ArunK.;Ghosh,PushpitoK.[JournaloftheChemicalSociety.PerkintransactionsI,1988,p.1749-1752]

[4]Olah,GeorgeA.;Fung,AlexanderP.;Malhotra,Ripudaman[Synthesis,1981,#6,p.474-476]

[5]Costa,A.;Riego,J.M.[SyntheticCommunications,1987,vol.17,#11,p.1373-1376]

[6]Inoue,Yoshihisa;Deguchi,Shokichiro;Hakushi,Tadao[BulletinoftheChemicalSocietyofJapan,1980,vol.53,#10,p.3031-3032]

[7]Duden;Lemme[ChemischeBerichte,1902,vol.35,p.1338]

[8]Denney,DonaldB.;Denney,DorothyZ.;Gigantino,JohnJ.[JournalofOrganicChemistry,1984,vol.49,#15,p.2831-2832]

[9]Jenkins,RhodriW.;Moore,CameronM.;Semelsberger,TroyA.;Sutton,AndrewD.[ChemCatChem,2017,vol.9,#14,p.2807-2815]

[10]Hua,Manli;Song,Jinliang;Huang,Xin;Hou,Minqiang;Fan,Honglei;Zhang,Zhaofu;Wu,Tianbin;Han,Buxing[ACSCatalysis,2021,vol.11,#13,p.7685-7693]

[1]Kornblum;Ficher[JournaloftheAmericanChemicalSociety,1949,vol.71,p.2260]

[1]Reppeetal.[JustusLiebigsAnnalenderChemie,1955,vol.596,p.160,180]Reppe,W.[AcetyleneChemistry<NewYork1949>S.118]

[2]Youngman,E.A.etal.[JournalofOrganicChemistry,1963,vol.28,p.144-148]

[3]Nakano,Tatsuya;Terada,Takanobu;Ishii,Yasutaka;Ogawa,Masaya[Synthesis,1986,#9,p.774-776]

[1]Sloboda-Rozner,Dorit;Witte,Peter;Alsters,PaulL.;Neumann,Ronny[AdvancedSynthesisandCatalysis,2004,vol.346,#2-3,p.339-345]

[2]Sakaguchi,Satoshi;Kikuchi,Daisuke;Ishii,Yasutaka[BulletinoftheChemicalSocietyofJapan,1997,vol.70,#10,p.2561-2566]

[3]Kasprzyk,Wiktor;Galica,Mateusz;Bednarz,Szczepan;Bogdał,Dariusz[Synlett,2014,vol.25,#19,p.2757-2760]

[4]Reppeetal.[JustusLiebigsAnnalenderChemie,1955,vol.596,p.160,180]Reppe,W.[AcetyleneChemistry<NewYork1949>S.118]

[5]Zhou,Huacong;Song,Jinliang;Meng,Qinglei;He,Zhenhong;Jiang,Zhiwei;Zhou,Baowen;Liu,Huizhen;Han,Buxing[GreenChemistry,2016,vol.18,#1,p.220-225]

[1]Gagnaire;Monzeglio[BulletindelaSocieteChimiquedeFrance,1965,p.474,479,480]

[2]Molnar,Arpad;Bartok,Mihaly[HelveticaChimicaActa,1981,vol.64,#2,p.389-398]

[3]Bucsi;Molnar;Bartok;Olah[Tetrahedron,1995,vol.51,#11,p.3319-3326]

[4]Corma,Avelino;Renz,Michael[AngewandteChemie-InternationalEdition,2007,vol.46,#1-2,p.298-300]

[5]Bayguzina;Gimaletdinova;Khusnutdinov[RussianJournalofOrganicChemistry,2017,vol.53,#12,p.1840-1843][Zh.Org.Khim.,2017,vol.53,#12,p.1804-1807,4]

Literature

Title: Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.

Journal: Chembiochem : a European journal of chemical biology 20110103

Title: Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.

Journal: PloS one 20110101

Title: Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example.

Journal: International journal of molecular sciences 20100101

Title: Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures.

Journal: Extremophiles : life under extreme conditions 20080701

Title: The function of microglia, either neuroprotection or neurotoxicity, is determined by the equilibrium among factors released from activated microglia in vitro.

Journal: Brain research 20070723

Title: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.

Journal: Journal of bioscience and bioengineering 20061201

Title: Reactions of 1-hydroxy-1-methylethyl radicals with NO2-: time-resolved electron spin resonance.

Journal: The journal of physical chemistry. A 20060928

Title: Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20060807

Title: A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.

Journal: Organic letters 20060216

Title: Identifying stereoisomers of the asymmetric hydrogenation catalyst [Me-BPE-Rh(COD)]+BF4 -.

Journal: Chirality 20050505

Title: On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols.

Journal: The Journal of organic chemistry 20030321

Title: Diastereoselective synthesis of optically active (2 R,5 R)-hexanediol.

Journal: Applied microbiology and biotechnology 20020401

Title: Ultrastructural studies of the dying-back process. VI. Examination of nerve fibers undergoing giant axonal degeneration in organotypic culture.

Journal: Journal of neuropathology and experimental neurology 19830301

Title: Ultrastructural studies of the dying-back process. III. The evolution of experimental peripheral giant axonal degeneration.

Journal: Journal of neuropathology and experimental neurology 19770101

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Tags:2935-44-6 Molecular Formula|2935-44-6 MDL|2935-44-6 SMILES|2935-44-6 2,5-Hexanediol
Catalog No.: AA002Y1W
2935-44-6,MFCD00004557
2935-44-6 | 2,5-Hexanediol
Pack Size： 1g
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 5g
Purity： 98%
in stock
$44.00 $31.00
Pack Size： 10g
Purity： 95%
in stock
$83.00 $58.00
Pack Size： 25g
Purity： 98%
in stock
$134.00 $94.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA002Y1W
Chemical Name: 2,5-Hexanediol
CAS Number: 2935-44-6
Molecular Formula: C6H14O2
Molecular Weight: 118.1742
MDL Number: MFCD00004557
SMILES: CC(CCC(O)C)O
NSC Number: 3699
Properties
BP: 216 °C  
Form: Solid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 46.5  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Downstream Synthesis Route
2935-44-6    1003-38-9 

[1]Tagliavini,Giuseppe;Marton,Daniele;Furlani,Donatella[Tetrahedron,1989,vol.45,#4,p.1187-1196]

[2]Grochowski,MatthewR.;Yang,Weiran;Sen,Ayusman[Chemistry-AEuropeanJournal,2012,vol.18,#39,p.12363-12371]

[3]Kotkar,Dilip;Mahajan,SatishW.;Mandal,ArunK.;Ghosh,PushpitoK.[JournaloftheChemicalSociety.PerkintransactionsI,1988,p.1749-1752]

[4]Olah,GeorgeA.;Fung,AlexanderP.;Malhotra,Ripudaman[Synthesis,1981,#6,p.474-476]

[5]Costa,A.;Riego,J.M.[SyntheticCommunications,1987,vol.17,#11,p.1373-1376]

[6]Inoue,Yoshihisa;Deguchi,Shokichiro;Hakushi,Tadao[BulletinoftheChemicalSocietyofJapan,1980,vol.53,#10,p.3031-3032]

[7]Duden;Lemme[ChemischeBerichte,1902,vol.35,p.1338]

[8]Denney,DonaldB.;Denney,DorothyZ.;Gigantino,JohnJ.[JournalofOrganicChemistry,1984,vol.49,#15,p.2831-2832]

[9]Jenkins,RhodriW.;Moore,CameronM.;Semelsberger,TroyA.;Sutton,AndrewD.[ChemCatChem,2017,vol.9,#14,p.2807-2815]

[10]Hua,Manli;Song,Jinliang;Huang,Xin;Hou,Minqiang;Fan,Honglei;Zhang,Zhaofu;Wu,Tianbin;Han,Buxing[ACSCatalysis,2021,vol.11,#13,p.7685-7693]

2935-44-6    54462-67-8 

[1]Kornblum;Ficher[JournaloftheAmericanChemicalSociety,1949,vol.71,p.2260]

2935-44-6    56745-61-0 

[1]Reppeetal.[JustusLiebigsAnnalenderChemie,1955,vol.596,p.160,180]Reppe,W.[AcetyleneChemistry<NewYork1949>S.118]

[2]Youngman,E.A.etal.[JournalofOrganicChemistry,1963,vol.28,p.144-148]

[3]Nakano,Tatsuya;Terada,Takanobu;Ishii,Yasutaka;Ogawa,Masaya[Synthesis,1986,#9,p.774-776]

2935-44-6    110-13-4 

[1]Sloboda-Rozner,Dorit;Witte,Peter;Alsters,PaulL.;Neumann,Ronny[AdvancedSynthesisandCatalysis,2004,vol.346,#2-3,p.339-345]

[2]Sakaguchi,Satoshi;Kikuchi,Daisuke;Ishii,Yasutaka[BulletinoftheChemicalSocietyofJapan,1997,vol.70,#10,p.2561-2566]

[3]Kasprzyk,Wiktor;Galica,Mateusz;Bednarz,Szczepan;Bogdał,Dariusz[Synlett,2014,vol.25,#19,p.2757-2760]

[4]Reppeetal.[JustusLiebigsAnnalenderChemie,1955,vol.596,p.160,180]Reppe,W.[AcetyleneChemistry<NewYork1949>S.118]

[5]Zhou,Huacong;Song,Jinliang;Meng,Qinglei;He,Zhenhong;Jiang,Zhiwei;Zhou,Baowen;Liu,Huizhen;Han,Buxing[GreenChemistry,2016,vol.18,#1,p.220-225]

2935-44-6    2144-41-4    38484-59-2 

[1]Gagnaire;Monzeglio[BulletindelaSocieteChimiquedeFrance,1965,p.474,479,480]

[2]Molnar,Arpad;Bartok,Mihaly[HelveticaChimicaActa,1981,vol.64,#2,p.389-398]

[3]Bucsi;Molnar;Bartok;Olah[Tetrahedron,1995,vol.51,#11,p.3319-3326]

[4]Corma,Avelino;Renz,Michael[AngewandteChemie-InternationalEdition,2007,vol.46,#1-2,p.298-300]

[5]Bayguzina;Gimaletdinova;Khusnutdinov[RussianJournalofOrganicChemistry,2017,vol.53,#12,p.1840-1843][Zh.Org.Khim.,2017,vol.53,#12,p.1804-1807,4]

Literature fold

Title: Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.

Journal: Chembiochem : a European journal of chemical biology20110103

Title: Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.

Journal: PloS one20110101

Title: Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example.

Journal: International journal of molecular sciences20100101

Title: Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures.

Journal: Extremophiles : life under extreme conditions20080701

Title: The function of microglia, either neuroprotection or neurotoxicity, is determined by the equilibrium among factors released from activated microglia in vitro.

Journal: Brain research20070723

Title: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.

Journal: Journal of bioscience and bioengineering20061201

Title: Reactions of 1-hydroxy-1-methylethyl radicals with NO2-: time-resolved electron spin resonance.

Journal: The journal of physical chemistry. A20060928

Title: Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20060807

Title: A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.

Journal: Organic letters20060216

Title: Identifying stereoisomers of the asymmetric hydrogenation catalyst [Me-BPE-Rh(COD)]+BF4 -.

Journal: Chirality20050505

Title: On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols.

Journal: The Journal of organic chemistry20030321

Title: Diastereoselective synthesis of optically active (2 R,5 R)-hexanediol.

Journal: Applied microbiology and biotechnology20020401

Title: Ultrastructural studies of the dying-back process. VI. Examination of nerve fibers undergoing giant axonal degeneration in organotypic culture.

Journal: Journal of neuropathology and experimental neurology19830301

Title: Ultrastructural studies of the dying-back process. III. The evolution of experimental peripheral giant axonal degeneration.

Journal: Journal of neuropathology and experimental neurology19770101

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