Cas no 139164-93-5 (1-Hexen-3-ol, (S)-)
1-Hexen-3-ol, (S)- structure
Product Name:1-Hexen-3-ol, (S)-
CAS No:139164-93-5
MF:C6H12O
MW:100.158882141113
CID:1262193
Update Time:2024-08-04
1-Hexen-3-ol, (S)- Chemical and Physical Properties
Names and Identifiers
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- 1-Hexen-3-ol, (S)-
- 1-Hexen-3-ol, (3S)-
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- Inchi： 1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3/t6-/m1/s1
- InChI Key： BVOSSZSHBZQJOI-ZCFIWIBFSA-N
- SMILES： C=C[C@@H](O)CCC
Computed Properties
- Exact Mass: 100.08886
- Monoisotopic Mass: 100.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 50.1
- 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
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Color/Form: Amber liquid
- Density: 0.835
- Melting Point: -15 C
- Boiling Point: 135℃
- Flash Point: 35℃
- Refractive Index: 1.427-1.43
- PSA: 20.23
- LogP: 1.33340
- pka: 14.49±0.20(Predicted)
1-Hexen-3-ol, (S)- Security Information
- Storage Condition：Keep away from sources of ignition. Store in a cool, dry place. Store in tightly closed containers away from flammable areas.
1-Hexen-3-ol, (S)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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