Cas no 6071-27-8 (decane-1,3-diol)
decane-1,3-diol structure
Product Name:decane-1,3-diol
CAS No:6071-27-8
MF:C10H22O2
MW:174.280483722687
CID:1621414
PubChem ID:201483
Update Time:2025-04-21
decane-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- decane-1,3-diol
- 1,3-decanediol
- BRN 1848272
- 6071-27-8
- 1,3-dihydroxydecane
- SCHEMBL455543
- ANWMPOLHSRXCNH-UHFFFAOYSA-N
- CHEBI:195415
- DTXSID80976153
-
- Inchi： 1S/C10H22O2/c1-2-3-4-5-6-7-10(12)8-9-11/h10-12H,2-9H2,1H3
- InChI Key： ANWMPOLHSRXCNH-UHFFFAOYSA-N
- SMILES： OC(CCO)CCCCCCC
Computed Properties
- Exact Mass: 174.16206
- Monoisotopic Mass: 174.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 83.9
- 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: 2.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.922
- Boiling Point: 284.9°C at 760 mmHg
- Flash Point: 129°C
- Refractive Index: 1.456
- PSA: 40.46
decane-1,3-diol Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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