Cas no 147991-84-2 (2-Nonanol,1,1,1-trifluoro-, (2S)-)
147991-84-2 structure
Product Name:2-Nonanol,1,1,1-trifluoro-, (2S)-
CAS No:147991-84-2
MF:C9H17F3O
MW:198.225893735886
CID:100611
PubChem ID:13721885
Update Time:2025-04-18
2-Nonanol,1,1,1-trifluoro-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Nonanol,1,1,1-trifluoro-, (2S)-
- (S)-(-)-1,1,1-Trifluorononan-2-ol
- 1,1,1-trifluorononan-2-ol
- (2S)-(-)-1,1,1-Trifluorononan-2-ol
- (2S)-(-)-2-Hydroxy-1,1,1-trifluorononane
- A808717
- (2S)-1,1,1-trifluorononan-2-ol
- MFCD06799353
- AKOS006343086
- 147991-84-2
- 2-Nonanol, 1,1,1-trifluoro-, (2S)-
- (S)-(-)-1,1,1-Trifluorononan-2-ol (>98%ee)
-
- Inchi： 1S/C9H17F3O/c1-2-3-4-5-6-7-8(13)9(10,11)12/h8,13H,2-7H2,1H3/t8-/m0/s1
- InChI Key： ZPKPJIUKYONDSL-QMMMGPOBSA-N
- SMILES： FC([C@H](CCCCCCC)O)(F)F
Computed Properties
- Exact Mass: 198.12300
- Monoisotopic Mass: 198.12314965g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.035
- Boiling Point: 67-68/6mm
- Flash Point: 96.3°C
- Refractive Index: 1.393
- PSA: 20.23000
- LogP: 3.27010
2-Nonanol,1,1,1-trifluoro-, (2S)- Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
2-Nonanol,1,1,1-trifluoro-, (2S)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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