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5131-66-8,MFCD00021904
Catalog No.:AA003E38

5131-66-8 | 1-Butoxypropan-2-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
96%
in stock  
$26.00   $18.00
- +
25g
96%
in stock  
$34.00   $24.00
- +
100g
96%
in stock  
$77.00   $54.00
- +
500g
96%
in stock  
$259.00 $182.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003E38
Chemical Name:
1-Butoxypropan-2-ol
CAS Number:
5131-66-8
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00021904
SMILES:
CCCCOCC(C)O
NSC Number:
2211
Properties
Properties
 
BP:
171.5°C  
Form:
Liquid  
MP:
-15.45°C (estimate)  
Refractive Index:
n20/D 1.416(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
54.9  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Chitwood;Freure[JournaloftheAmericanChemicalSociety,1946,vol.68,p.680]

[2]Takeuchi,Hiroshi;Kitajima,Kunio;Yamamoto,Yasuhiro;Mizuno,Kiyokazu[JournaloftheChemicalSociety.PerkintransactionsII,1993,#2,p.199-203]

[3]Takeuchi,Hiroshi;Kitajima,Kunio;Yamamoto,Yasuhiro;Mizuno,Kiyokazu[JournaloftheChemicalSociety.PerkintransactionsII,1993,#2,p.199-203]

[4]Locationinpatent:experimentalpartBai,Yu;Cai,Qinghai;Wang,Xiaoguang;Lu,Bin[KineticsandCatalysis,2011,vol.52,#3,p.386-390]

[5]Zhang,Xiaochen;Wang,Min;Zhang,Chaofeng;Lu,Jianmin;Wang,Yehong;Wang,Feng[RSCAdvances,2016,vol.6,#75,p.70842-70847]

[6]Zhao,Cong;Chen,Shengxin;Zhang,Ruirui;Li,Zihang;Liu,Ruixia;Ren,Baozeng;Zhang,Suojiang[CuihuaXuebao/ChineseJournalofCatalysis,2017,vol.38,#5,p.879-888]

[7]CurrentPatentAssignee:DOWINC-US1730061,1925,A

[1]Locationinpatent:experimentalpartZhang,Yongbo;Lu,Bin;Wang,Xiaoguang;Zhao,Jingxiang;Cai,Qinghai[AppliedCatalysisA:General,2011,vol.408,#1-2,p.125-129]

[2]Yokoi;Imoto[KobunshiKagaku,1952,vol.9,p.235,236][Chem.Abstr.,1954,p.13653]Chitwood;Freure[JournaloftheAmericanChemicalSociety,1946,vol.68,p.680]Gurwitsch[ZhurnalObshcheiKhimii,1955,vol.25,p.1713,1715;engl.Ausg.S.1667]

[3]Zhang,Jiawei;Cai,Qinghai;Zhao,Jingxiang;Zang,Shuying[RSCAdvances,2018,vol.8,#8,p.4478-4482]

[4]CurrentPatentAssignee:InstituteofProcessEngineering(in:CAS);CHINESEACADEMYOFSCIENCES-CN107400043,2017,ALocationinpatent:Paragraph0067;0068;0069;0070;0083;0084

[5]Xu,Yueting;Zhao,Yanfei;Zhang,Fengtao;Wang,Yuepeng;Li,Ruipeng;Xiang,Junfeng;Liu,Zhimin[ChemicalCommunications,2021,vol.57,#70,p.8734-8737]

[1]Smith,R.G.etal.[CanadianJournalofChemistry,1969,vol.47,p.2015-2019]

[1]Chlebicki,J.[RocznikiChemii,1974,vol.48,p.1241-1253]

[1]TenBrink,Gerd-Jan;Arends,IsabelW.C.E.;Sheldon,RogerA.[AdvancedSynthesisandCatalysis,2002,vol.344,#3-4,p.355-369]

[2]Isobe,Toshio;Ishikawa,Tsutomu[JournalofOrganicChemistry,1999,vol.64,#16,p.5832-5835]

[3]Panigrahi,G.P.;Mahapatro,D.D.[BulletindesSocietesChimiquesBelges,1981,vol.90,#9,p.927-932]

[4]CurrentPatentAssignee:DOWINC-WO2019/212803,2019,A1Locationinpatent:Page/Pagecolumn14

Literature

Title: The use of N,N'-diallylaldardiamides as cross-linkers in xylan derivatives-based hydrogels.

Journal: Carbohydrate research 20111213

Title: Evaluation of exposure to 1-alkoxy-2-propanols and 1-(2-methoxy-1-methylethoxy)-2-propanol by the analysis of the parent compounds in urine.

Journal: Toxicology letters 20060410

Title: Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol.

Journal: IARC monographs on the evaluation of carcinogenic risks to humans 20060101

Title: Meeting report: summary of IARC monographs on formaldehyde, 2-butoxyethanol, and 1-tert-butoxy-2-propanol.

Journal: Environmental health perspectives 20050901

Title: Kinetic and product studies of the reactions of selected glycol ethers with OH radicals.

Journal: Environmental science & technology 20011015

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SDS
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Tags:5131-66-8 Molecular Formula|5131-66-8 MDL|5131-66-8 SMILES|5131-66-8 1-Butoxypropan-2-ol
Catalog No.: AA003E38
5131-66-8,MFCD00021904
5131-66-8 | 1-Butoxypropan-2-ol
Pack Size： 5g
Purity： 96%
in stock
$26.00 $18.00
Pack Size： 25g
Purity： 96%
in stock
$34.00 $24.00
Pack Size： 100g
Purity： 96%
in stock
$77.00 $54.00
Pack Size： 500g
Purity： 96%
in stock
$259.00 $182.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003E38
Chemical Name: 1-Butoxypropan-2-ol
CAS Number: 5131-66-8
Molecular Formula: C7H16O2
Molecular Weight: 132.2007
MDL Number: MFCD00021904
SMILES: CCCCOCC(C)O
NSC Number: 2211
Properties
BP: 171.5°C  
Form: Liquid  
MP: -15.45°C (estimate)  
Refractive Index: n20/D 1.416(lit.)  
Storage: 2-8℃;  
Complexity: 54.9  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
16033-71-9    71-36-3    15821-83-7    5131-66-8 

[1]Chitwood;Freure[JournaloftheAmericanChemicalSociety,1946,vol.68,p.680]

[2]Takeuchi,Hiroshi;Kitajima,Kunio;Yamamoto,Yasuhiro;Mizuno,Kiyokazu[JournaloftheChemicalSociety.PerkintransactionsII,1993,#2,p.199-203]

[3]Takeuchi,Hiroshi;Kitajima,Kunio;Yamamoto,Yasuhiro;Mizuno,Kiyokazu[JournaloftheChemicalSociety.PerkintransactionsII,1993,#2,p.199-203]

[4]Locationinpatent:experimentalpartBai,Yu;Cai,Qinghai;Wang,Xiaoguang;Lu,Bin[KineticsandCatalysis,2011,vol.52,#3,p.386-390]

[5]Zhang,Xiaochen;Wang,Min;Zhang,Chaofeng;Lu,Jianmin;Wang,Yehong;Wang,Feng[RSCAdvances,2016,vol.6,#75,p.70842-70847]

[6]Zhao,Cong;Chen,Shengxin;Zhang,Ruirui;Li,Zihang;Liu,Ruixia;Ren,Baozeng;Zhang,Suojiang[CuihuaXuebao/ChineseJournalofCatalysis,2017,vol.38,#5,p.879-888]

[7]CurrentPatentAssignee:DOWINC-US1730061,1925,A

16033-71-9    71-36-3    5131-66-8 

[1]Locationinpatent:experimentalpartZhang,Yongbo;Lu,Bin;Wang,Xiaoguang;Zhao,Jingxiang;Cai,Qinghai[AppliedCatalysisA:General,2011,vol.408,#1-2,p.125-129]

[2]Yokoi;Imoto[KobunshiKagaku,1952,vol.9,p.235,236][Chem.Abstr.,1954,p.13653]Chitwood;Freure[JournaloftheAmericanChemicalSociety,1946,vol.68,p.680]Gurwitsch[ZhurnalObshcheiKhimii,1955,vol.25,p.1713,1715;engl.Ausg.S.1667]

[3]Zhang,Jiawei;Cai,Qinghai;Zhao,Jingxiang;Zang,Shuying[RSCAdvances,2018,vol.8,#8,p.4478-4482]

[4]CurrentPatentAssignee:InstituteofProcessEngineering(in:CAS);CHINESEACADEMYOFSCIENCES-CN107400043,2017,ALocationinpatent:Paragraph0067;0068;0069;0070;0083;0084

[5]Xu,Yueting;Zhao,Yanfei;Zhang,Fengtao;Wang,Yuepeng;Li,Ruipeng;Xiang,Junfeng;Liu,Zhimin[ChemicalCommunications,2021,vol.57,#70,p.8734-8737]

57-55-6    109-69-3    15821-83-7    5131-66-8    91337-27-8 

[1]Smith,R.G.etal.[CanadianJournalofChemistry,1969,vol.47,p.2015-2019]

2372-45-4    16033-71-9    5131-66-8 

[1]Chlebicki,J.[RocznikiChemii,1974,vol.48,p.1241-1253]

5131-66-8    84223-13-2 

[1]TenBrink,Gerd-Jan;Arends,IsabelW.C.E.;Sheldon,RogerA.[AdvancedSynthesisandCatalysis,2002,vol.344,#3-4,p.355-369]

[2]Isobe,Toshio;Ishikawa,Tsutomu[JournalofOrganicChemistry,1999,vol.64,#16,p.5832-5835]

[3]Panigrahi,G.P.;Mahapatro,D.D.[BulletindesSocietesChimiquesBelges,1981,vol.90,#9,p.927-932]

[4]CurrentPatentAssignee:DOWINC-WO2019/212803,2019,A1Locationinpatent:Page/Pagecolumn14

Literature fold

Title: The use of N,N'-diallylaldardiamides as cross-linkers in xylan derivatives-based hydrogels.

Journal: Carbohydrate research20111213

Title: Evaluation of exposure to 1-alkoxy-2-propanols and 1-(2-methoxy-1-methylethoxy)-2-propanol by the analysis of the parent compounds in urine.

Journal: Toxicology letters20060410

Title: Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol.

Journal: IARC monographs on the evaluation of carcinogenic risks to humans20060101

Title: Meeting report: summary of IARC monographs on formaldehyde, 2-butoxyethanol, and 1-tert-butoxy-2-propanol.

Journal: Environmental health perspectives20050901

Title: Kinetic and product studies of the reactions of selected glycol ethers with OH radicals.

Journal: Environmental science & technology20011015

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