Cas no 33968-47-7 (1,2-Pentadecanediol)
1,2-Pentadecanediol structure
Product Name:1,2-Pentadecanediol
CAS No:33968-47-7
MF:C15H32O2
MW:244.413385391235
CID:319315
PubChem ID:118123
Update Time:2025-04-19
1,2-Pentadecanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Pentadecanediol
- Pentadecane-1,2-diol
- SCHEMBL1847019
- NS00055698
- EINECS 251-767-5
- FETBCQJCOOEKPM-UHFFFAOYSA-N
- DTXSID40955545
- 33968-47-7
-
- Inchi： 1S/C15H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16/h15-17H,2-14H2,1H3
- InChI Key： FETBCQJCOOEKPM-UHFFFAOYSA-N
- SMILES： OC(CO)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 244.24036
- Monoisotopic Mass: 244.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 137
- 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: 5.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.8954 (rough estimate)
- Melting Point: 87°C (estimate)
- Boiling Point: 303.27°C (rough estimate)
- Flash Point: 147.2°C
- Refractive Index: 1.4702 (estimate)
- PSA: 40.46
1,2-Pentadecanediol Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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