Cas no 7779-94-4 (2-Octanol,8,8-diethoxy-2,6-dimethyl-)
7779-94-4 structure
Product Name:2-Octanol,8,8-diethoxy-2,6-dimethyl-
CAS No:7779-94-4
MF:C14H30O3
MW:246.386205196381
CID:569087
Update Time:2025-04-19
2-Octanol,8,8-diethoxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol,8,8-diethoxy-2,6-dimethyl-
- HYDROXYCITRONELLAL DIETHYL ACETAL
- AC1NUYQF
- AC1Q35ER
- CTK6F9859
- EINECS 231-945-9
- FEMA No. 2584
- UNII-F82P1A3CIM
- 8,8-Diethoxy-2,6-dimethyl-2-octanol
-
- Inchi： 1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3
- InChI Key： XOJDKWNFMFCXNE-UHFFFAOYSA-N
- SMILES： CCOC(OCC)CC(CCCC(O)(C)C)C
Computed Properties
- Exact Mass: 246.2196
- Monoisotopic Mass: 246.219495
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 174
- 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: 38.7
Experimental Properties
- Density: 0.910±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 313.2°C at 760 mmHg
- Flash Point: 143.2°C
- Refractive Index: 1.443
- Solubility: Slightly soluble (2.7 g/l) (25 o C),
- PSA: 38.69
- LogP: 3.35290
- FEMA: 2584 | HYDROXYCITRONELLAL DIETHYL ACETAL
2-Octanol,8,8-diethoxy-2,6-dimethyl- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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