91-04-3,MFCD00004619
Catalog No.:AA0032Y2

91-04-3 | 2,6-Bis(hydroxymethyl)-p-cresol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$37.00   $26.00
- +
100g
98%
in stock  
$42.00   $29.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0032Y2
Chemical Name:
2,6-Bis(hydroxymethyl)-p-cresol
CAS Number:
91-04-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00004619
SMILES:
OCc1cc(C)cc(c1O)CO
NSC Number:
15838
Properties
Properties
 
BP:
333.3 °C at 760 mmHg  
Form:
Solid  
MP:
128-130 °C  
Refractive Index:
1.4371 (estimate)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
124  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
0.7  

Downstream Synthesis Route

[1]deJonge;Bibo[RecueildesTravauxChimiquesdesPays-Bas,1955,vol.74,p.1448,1452]

[2]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-US2016/280621,2016,A1Locationinpatent:Paragraph0431

[3]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-KR2016/101165,2016,ALocationinpatent:Paragraph0492-0495

[1]Gupta,Rajeev;Mukherjee,Sumitra;Mukherjee,Rabindranath[JournaloftheChemicalSociety,DaltonTransactions,1999,#22,p.4025-4030]

[2]Arnaud,Nathalie;Picard,Claude;Cazaux,Louis;Tisnes,Pierre[Tetrahedron,1997,vol.53,#40,p.13757-13768]

[3]CurrentPatentAssignee:CHENGDUTAIRONGBIOLOGICALTECH-CN109942376,2019,ALocationinpatent:Paragraph0106-0108

[4]Rajakumar,Perumal;Murali,Venghatraghavan[TetrahedronLetters,2002,vol.43,#43,p.7695-7698]

[5]Hampton,PhilipD.;Bencze,Zsolt;Tong,Weidong;Daitch,CharlesE.[JournalofOrganicChemistry,1994,vol.59,#17,p.4838-4843]

[6]Iranpoor,Nasser;Panahi,Farhad[OrganicLetters,2015,vol.17,#2,p.214-217]

[7]Li,Hongyang;Shi,Feng;Gao,Yan;Zhang,Rong;Peng,Xiaojun;Sun,Licheng[JournalofChemicalResearch,2004,#1,p.57-58]

[8]Thorarinsdottir,AgnesE.;Tatro,ScottM.;Harris,T.David[InorganicChemistry,2018,vol.57,#17,p.11252-11263]

[9]Khaniani,Yeganeh;Golchoubian,Hamid[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#12,p.2817-2823]

[10]CurrentPatentAssignee:DOSHISHAUNIVERSITY-JP2021/42188,2021,ALocationinpatent:Paragraph0048-0049

[11]CurrentPatentAssignee:DOSHISHAUNIVERSITY-JP2021/42187,2021,ALocationinpatent:Paragraph0048;0060-0061

[12]Trost,BarryM.;Yeh,VinceS.C.;Ito,Hisanako;Bremeyer,Nadine[OrganicLetters,2002,vol.4,#16,p.2621-2623]

[13]Liu,Qin;Rovis,Tomislav[JournaloftheAmericanChemicalSociety,2006,vol.128,#8,p.2552-2553]

[14]Auwers[ChemischeBerichte,1907,vol.40,p.2528]Ullmann;Brittner[ChemischeBerichte,1909,vol.42,p.2546]

[15]Koenig,K.E.etal.[JournaloftheAmericanChemicalSociety,1979,vol.101,#13,p.3553-3566]

[16]Gagne,R.R.;Spiro,C.L.;Smith,T.J.;Hamann,C.A.;Thies,W.R.;Shiemke,A.K.[JournaloftheAmericanChemicalSociety,1981,vol.103,#14,p.4073-4081]

[17]Kwanghyun,No;Jong,EunKim;Kyoung,MeeKwon[TetrahedronLetters,1995,vol.36,#46,p.8453-8456]

[18]VanDerBoom,MilkoE.;Liou,Shyh-Yeon;Ben-David,Yehoshoa;Shimon,LindaJ.W.;Milstein,David[JournaloftheAmericanChemicalSociety,1998,vol.120,#26,p.6531-6541]

[19]Mohamed,AdelA.;Masaret,GhadaS.;Elwahy,AhmedH.M.[Tetrahedron,2007,vol.63,#19,p.4000-4010]

[20]Locationinpatent:schemeortableOzer,Hayriye;Kocakaya,SafakOzhan;Akgun,Abuzer;Hosgoeren,Halil;Togrul,Mahmut[TetrahedronAsymmetry,2009,vol.20,#13,p.1541-1546]

[21]Yang,Li;Luo,Liang;Zhang,Shuai;Su,Xiaoyu;Lan,Jingbo;Chen,Chi-Tien;You,Jingsong[ChemicalCommunications,2010,vol.46,#22,p.3938-3940]

[22]Locationinpatent:schemeortableLiu,Hongyan;Shi,Xiaoyan;Xu,Min;Li,Zhengpeng;Huang,Liang;Bai,Decheng;Zeng,Zhengzhi[EuropeanJournalofMedicinalChemistry,2011,vol.46,#5,p.1638-1647]

[23]Locationinpatent:experimentalpartMa,Ling;Lu,Liping;Zhu,Miaoli;Wang,Qingming;Li,Ying;Xing,Shu;Fu,Xueqi;Gao,Zengqiang;Dong,Yuhui[DaltonTransactions,2011,vol.40,#24,p.6532-6540]

[24]Goswami,Shyamaprosad;Maity,Sibaprasad;Das,AvijitKumar;Maity,AnnadaC.;Mandal,TarunKanti;Samanta,Siddhartha[TetrahedronLetters,2013,vol.54,#38,p.5232-5235]

[25]Goswami,Shyamaprosad;Das,AvijitKumar;Maity,AnupKumar;Manna,Abhishek;Aich,Krishnendu;Maity,Sibaprasad;Saha,Partha;Mandal,TarunKanti[DaltonTransactions,2014,vol.43,#1,p.231-239]

[26]Xu,Chongjie;Chen,Zhou;Ji,Gang;Sun,Xiu-Li;Li,Jun-Fang;Tang,Yong[JournalofMolecularCatalysisA:Chemical,2014,vol.383-384,p.77-82]

[27]Guo,Dan;Dong,Zhengping;Luo,Chao;Zan,Wenyan;Yan,Shiqiang;Yao,Xiaojun[RSCAdvances,2014,vol.4,#11,p.5718-5725]

[28]Dong,Zhengping;Le,Xuanduong;Zhou,Panpan;Dong,Chunxu;Ma,Jiantai[NewJournalofChemistry,2014,vol.38,#4,p.1802-1808]

[29]Du,Kang;Harris,T.David[JournaloftheAmericanChemicalSociety,2016,vol.138,#25,p.7804-7807]

[30]Lal,Sunder;Thakur,RamswaroopSingh[AsianJournalofChemistry,2016,vol.28,#12,p.2596-2600]

[31]Jarzyński,Szymon;Utecht,Greta;Leśniak,Stanisław;Rachwalski,Michał[TetrahedronAsymmetry,2017,vol.28,#12,p.1774-1779]

[32]Goswami,Shyamaprosad;Maity,AnnadaC;Maity,Sibaprasad;Mandal,TarunKanti;Roymahapatra,Gourisankar;kumarDas,Avijit[JournalofMolecularStructure,2022,vol.1264]

[1]Fareghi-Alamdari,Reza;Golestanzadeh,Mohsen;Zekri,Negar[NewJournalofChemistry,2016,vol.40,#4,p.3400-3412]

[2]Fareghi-Alamdari,Reza;Khalafi-Nezhad,Ali;Zekri,Negar[Synthesis,2014,vol.46,#7,p.887-892]

[3]Bordunov,AndreiV.;Lukyanenko,NikolaiG.;Pastushok,VictorN.;Krakowiak,KrzysztofE.;Bradshaw,JeraldS.;etal.[JournalofOrganicChemistry,1995,vol.60,#15,p.4912-4918]

[4]Niederl;McCoy[JournaloftheAmericanChemicalSociety,1943,vol.65,p.629]Megson;Drummond[JournaloftheSocietyofChemicalIndustry,1930,vol.49,p.251T,253T]Koebner[AngewandteChemie,1933,vol.46,p.251,252]Morgan[JournaloftheSocietyofChemicalIndustry,1930,vol.49,p.245T,248T]Foster;Hein[JournalofOrganicChemistry,1961,vol.26,p.2539]Finn;Lewis[JournaloftheSocietyofChemicalIndustry,1950,vol.69,p.132]Beaveretal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.5579,5581]

[5]CurrentPatentAssignee:BASF-DE301451,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.13,p.691][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.13,p.691]

[1]Fareghi-Alamdari,Reza;Golestanzadeh,Mohsen;Zekri,Negar[NewJournalofChemistry,2016,vol.40,#4,p.3400-3412]

[2]Sartori,Giovanni;Bigi,Franca;Maggi,Raimondo;Porta,Cecilia[TetrahedronLetters,1994,vol.35,#38,p.7073-7076]

[3]CurrentPatentAssignee:PFIZERINC-US2773907,1954,A

[1]RocznikiChemii,1955,vol.29,p.55,59    Chem.Abstr.,1956,p.4832

Literature

Title: Single crystal-to-single crystal irreversible transformation from a discrete vanadium(V)-alcoholate to an aldehydic-vanadium(IV) oligomer.

Journal: Journal of the American Chemical Society 20101117

Title: Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets.

Journal: Inorganic chemistry 20090420

Title: A nontwisted, ferromagnetically coupled Mn(III)3O triangular complex from the use of 2,6-bis(hydroxymethyl)-p-cresol.

Journal: Inorganic chemistry 20090202

Title: Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-R-phenol, with R = methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020901

Title: Molecular recognition of titanium(IV) alkoxides by 2,6-bis(hydroxymethyl)-p-cresol in the crystal engineering of hybrid organic-inorganic networks.

Journal: Journal of the American Chemical Society 20010613

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SDS
Tags:91-04-3 Molecular Formula|91-04-3 MDL|91-04-3 SMILES|91-04-3 2,6-Bis(hydroxymethyl)-p-cresol
Catalog No.: AA0032Y2
91-04-3,MFCD00004619
91-04-3 | 2,6-Bis(hydroxymethyl)-p-cresol
Pack Size: 1g
Purity: 95%
in stock
$18.00 $13.00
Pack Size: 5g
Purity: 98%
in stock
$29.00 $20.00
Pack Size: 25g
Purity: 98%
in stock
$37.00 $26.00
Pack Size: 100g
Purity: 98%
in stock
$42.00 $29.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA0032Y2
Chemical Name: 2,6-Bis(hydroxymethyl)-p-cresol
CAS Number: 91-04-3
Molecular Formula: C9H12O3
Molecular Weight: 168.1898
MDL Number: MFCD00004619
SMILES: OCc1cc(C)cc(c1O)CO
NSC Number: 15838
Properties
BP: 333.3 °C at 760 mmHg  
Form: Solid  
MP: 128-130 °C  
Refractive Index: 1.4371 (estimate)  
Storage: Room Temperature;Keep in dry area;  
Complexity: 124  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 3  
Rotatable Bond Count: 2  
XLogP3: 0.7  
Downstream Synthesis Route
67-56-1    91-04-3    32449-09-5 

[1]deJonge;Bibo[RecueildesTravauxChimiquesdesPays-Bas,1955,vol.74,p.1448,1452]

[2]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-US2016/280621,2016,A1Locationinpatent:Paragraph0431

[3]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-KR2016/101165,2016,ALocationinpatent:Paragraph0492-0495

50-00-0    106-44-5    91-04-3 

[1]Gupta,Rajeev;Mukherjee,Sumitra;Mukherjee,Rabindranath[JournaloftheChemicalSociety,DaltonTransactions,1999,#22,p.4025-4030]

[2]Arnaud,Nathalie;Picard,Claude;Cazaux,Louis;Tisnes,Pierre[Tetrahedron,1997,vol.53,#40,p.13757-13768]

[3]CurrentPatentAssignee:CHENGDUTAIRONGBIOLOGICALTECH-CN109942376,2019,ALocationinpatent:Paragraph0106-0108

[4]Rajakumar,Perumal;Murali,Venghatraghavan[TetrahedronLetters,2002,vol.43,#43,p.7695-7698]

[5]Hampton,PhilipD.;Bencze,Zsolt;Tong,Weidong;Daitch,CharlesE.[JournalofOrganicChemistry,1994,vol.59,#17,p.4838-4843]

[6]Iranpoor,Nasser;Panahi,Farhad[OrganicLetters,2015,vol.17,#2,p.214-217]

[7]Li,Hongyang;Shi,Feng;Gao,Yan;Zhang,Rong;Peng,Xiaojun;Sun,Licheng[JournalofChemicalResearch,2004,#1,p.57-58]

[8]Thorarinsdottir,AgnesE.;Tatro,ScottM.;Harris,T.David[InorganicChemistry,2018,vol.57,#17,p.11252-11263]

[9]Khaniani,Yeganeh;Golchoubian,Hamid[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#12,p.2817-2823]

[10]CurrentPatentAssignee:DOSHISHAUNIVERSITY-JP2021/42188,2021,ALocationinpatent:Paragraph0048-0049

[11]CurrentPatentAssignee:DOSHISHAUNIVERSITY-JP2021/42187,2021,ALocationinpatent:Paragraph0048;0060-0061

[12]Trost,BarryM.;Yeh,VinceS.C.;Ito,Hisanako;Bremeyer,Nadine[OrganicLetters,2002,vol.4,#16,p.2621-2623]

[13]Liu,Qin;Rovis,Tomislav[JournaloftheAmericanChemicalSociety,2006,vol.128,#8,p.2552-2553]

[14]Auwers[ChemischeBerichte,1907,vol.40,p.2528]Ullmann;Brittner[ChemischeBerichte,1909,vol.42,p.2546]

[15]Koenig,K.E.etal.[JournaloftheAmericanChemicalSociety,1979,vol.101,#13,p.3553-3566]

[16]Gagne,R.R.;Spiro,C.L.;Smith,T.J.;Hamann,C.A.;Thies,W.R.;Shiemke,A.K.[JournaloftheAmericanChemicalSociety,1981,vol.103,#14,p.4073-4081]

[17]Kwanghyun,No;Jong,EunKim;Kyoung,MeeKwon[TetrahedronLetters,1995,vol.36,#46,p.8453-8456]

[18]VanDerBoom,MilkoE.;Liou,Shyh-Yeon;Ben-David,Yehoshoa;Shimon,LindaJ.W.;Milstein,David[JournaloftheAmericanChemicalSociety,1998,vol.120,#26,p.6531-6541]

[19]Mohamed,AdelA.;Masaret,GhadaS.;Elwahy,AhmedH.M.[Tetrahedron,2007,vol.63,#19,p.4000-4010]

[20]Locationinpatent:schemeortableOzer,Hayriye;Kocakaya,SafakOzhan;Akgun,Abuzer;Hosgoeren,Halil;Togrul,Mahmut[TetrahedronAsymmetry,2009,vol.20,#13,p.1541-1546]

[21]Yang,Li;Luo,Liang;Zhang,Shuai;Su,Xiaoyu;Lan,Jingbo;Chen,Chi-Tien;You,Jingsong[ChemicalCommunications,2010,vol.46,#22,p.3938-3940]

[22]Locationinpatent:schemeortableLiu,Hongyan;Shi,Xiaoyan;Xu,Min;Li,Zhengpeng;Huang,Liang;Bai,Decheng;Zeng,Zhengzhi[EuropeanJournalofMedicinalChemistry,2011,vol.46,#5,p.1638-1647]

[23]Locationinpatent:experimentalpartMa,Ling;Lu,Liping;Zhu,Miaoli;Wang,Qingming;Li,Ying;Xing,Shu;Fu,Xueqi;Gao,Zengqiang;Dong,Yuhui[DaltonTransactions,2011,vol.40,#24,p.6532-6540]

[24]Goswami,Shyamaprosad;Maity,Sibaprasad;Das,AvijitKumar;Maity,AnnadaC.;Mandal,TarunKanti;Samanta,Siddhartha[TetrahedronLetters,2013,vol.54,#38,p.5232-5235]

[25]Goswami,Shyamaprosad;Das,AvijitKumar;Maity,AnupKumar;Manna,Abhishek;Aich,Krishnendu;Maity,Sibaprasad;Saha,Partha;Mandal,TarunKanti[DaltonTransactions,2014,vol.43,#1,p.231-239]

[26]Xu,Chongjie;Chen,Zhou;Ji,Gang;Sun,Xiu-Li;Li,Jun-Fang;Tang,Yong[JournalofMolecularCatalysisA:Chemical,2014,vol.383-384,p.77-82]

[27]Guo,Dan;Dong,Zhengping;Luo,Chao;Zan,Wenyan;Yan,Shiqiang;Yao,Xiaojun[RSCAdvances,2014,vol.4,#11,p.5718-5725]

[28]Dong,Zhengping;Le,Xuanduong;Zhou,Panpan;Dong,Chunxu;Ma,Jiantai[NewJournalofChemistry,2014,vol.38,#4,p.1802-1808]

[29]Du,Kang;Harris,T.David[JournaloftheAmericanChemicalSociety,2016,vol.138,#25,p.7804-7807]

[30]Lal,Sunder;Thakur,RamswaroopSingh[AsianJournalofChemistry,2016,vol.28,#12,p.2596-2600]

[31]Jarzyński,Szymon;Utecht,Greta;Leśniak,Stanisław;Rachwalski,Michał[TetrahedronAsymmetry,2017,vol.28,#12,p.1774-1779]

[32]Goswami,Shyamaprosad;Maity,AnnadaC;Maity,Sibaprasad;Mandal,TarunKanti;Roymahapatra,Gourisankar;kumarDas,Avijit[JournalofMolecularStructure,2022,vol.1264]

91-04-3    106-44-5    1620-68-4 

[1]Fareghi-Alamdari,Reza;Golestanzadeh,Mohsen;Zekri,Negar[NewJournalofChemistry,2016,vol.40,#4,p.3400-3412]

[2]Fareghi-Alamdari,Reza;Khalafi-Nezhad,Ali;Zekri,Negar[Synthesis,2014,vol.46,#7,p.887-892]

[3]Bordunov,AndreiV.;Lukyanenko,NikolaiG.;Pastushok,VictorN.;Krakowiak,KrzysztofE.;Bradshaw,JeraldS.;etal.[JournalofOrganicChemistry,1995,vol.60,#15,p.4912-4918]

[4]Niederl;McCoy[JournaloftheAmericanChemicalSociety,1943,vol.65,p.629]Megson;Drummond[JournaloftheSocietyofChemicalIndustry,1930,vol.49,p.251T,253T]Koebner[AngewandteChemie,1933,vol.46,p.251,252]Morgan[JournaloftheSocietyofChemicalIndustry,1930,vol.49,p.245T,248T]Foster;Hein[JournalofOrganicChemistry,1961,vol.26,p.2539]Finn;Lewis[JournaloftheSocietyofChemicalIndustry,1950,vol.69,p.132]Beaveretal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.5579,5581]

[5]CurrentPatentAssignee:BASF-DE301451,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.13,p.691][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.13,p.691]

91-04-3    2409-55-4    90-68-6 

[1]Fareghi-Alamdari,Reza;Golestanzadeh,Mohsen;Zekri,Negar[NewJournalofChemistry,2016,vol.40,#4,p.3400-3412]

[2]Sartori,Giovanni;Bigi,Franca;Maggi,Raimondo;Porta,Cecilia[TetrahedronLetters,1994,vol.35,#38,p.7073-7076]

[3]CurrentPatentAssignee:PFIZERINC-US2773907,1954,A

91-04-3    608-33-3    19708-10-2 

[1]RocznikiChemii,1955,vol.29,p.55,59    Chem.Abstr.,1956,p.4832

Literature fold

Title: Single crystal-to-single crystal irreversible transformation from a discrete vanadium(V)-alcoholate to an aldehydic-vanadium(IV) oligomer.

Journal: Journal of the American Chemical Society20101117

Title: Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets.

Journal: Inorganic chemistry20090420

Title: A nontwisted, ferromagnetically coupled Mn(III)3O triangular complex from the use of 2,6-bis(hydroxymethyl)-p-cresol.

Journal: Inorganic chemistry20090202

Title: Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-R-phenol, with R = methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl.

Journal: Acta crystallographica. Section C, Crystal structure communications20020901

Title: Molecular recognition of titanium(IV) alkoxides by 2,6-bis(hydroxymethyl)-p-cresol in the crystal engineering of hybrid organic-inorganic networks.

Journal: Journal of the American Chemical Society20010613

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