Cas no 13021-51-7 (1-butoxy-3-methoxypropan-2-ol)
1-butoxy-3-methoxypropan-2-ol structure
Product Name:1-butoxy-3-methoxypropan-2-ol
CAS No:13021-51-7
MF:C8H18O3
MW:162.226723194122
CID:1229168
PubChem ID:13979886
Update Time:2025-04-20
1-butoxy-3-methoxypropan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-butoxy-3-methoxypropan-2-ol
- 2-propanol, 1-butoxy-3-methoxy-
- LogP
- 13021-51-7
- DTXSID30553716
- DB-103170
- SCHEMBL13191247
-
- Inchi： 1S/C8H18O3/c1-3-4-5-11-7-8(9)6-10-2/h8-9H,3-7H2,1-2H3
- InChI Key： PDOHSQUJDZJZOJ-UHFFFAOYSA-N
- SMILES： O(CCCC)CC(COC)O
Computed Properties
- Exact Mass: 162.12564
- Monoisotopic Mass: 162.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 75.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 0.947
- Boiling Point: 229.9°C at 760 mmHg
- Flash Point: 92.8°C
- Refractive Index: 1.428
- PSA: 38.69
1-butoxy-3-methoxypropan-2-ol Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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