Cas no 91684-45-6 (Pentenol, methyl-(7CI,9CI))
Pentenol, methyl-(7CI,9CI) structure
Product Name:Pentenol, methyl-(7CI,9CI)
Pentenol, methyl-(7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentenol, methyl-(7CI,9CI)
- 4-METHYL-3-PENTEN-2-OL
- Methylpentenol
- Pentenol,methyl
- FT-0635229
- NSC 31262
- NSC-31262
- NSC31262
- 3-Penten-2-ol, 4-methyl-
- 4-methyl-pent-3-en-2-ol
- 3-Penten-2-ol, 4-methyl-,
- AKOS006275077
- 4325-82-0
- 91684-45-6
- 4-methylpent-3-en-2-ol
- SCHEMBL714476
- FT-0690271
- EN300-171806
- 4-methyl-3-pentene-2-ol
- Pentenol, methyl-
- (e)-2-hexen-2-ol
- SCHEMBL504380
-
- Inchi： 1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+
- InChI Key： HEEAIHKOVDRAIC-AATRIKPKSA-N
- SMILES： O/C(/C)=C/CCC
Computed Properties
- Exact Mass: 100.08900
- Monoisotopic Mass: 100.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 64.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 1.4
Experimental Properties
- Density: 0.845
- Boiling Point: 139.1°Cat760mmHg
- Flash Point: 46.9°C
- Refractive Index: 1.44
- PSA: 20.23000
- LogP: 1.33340
Pentenol, methyl-(7CI,9CI) Related Literature
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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