Cas no 22414-71-7 (Octanal,7-hydroxy-2,3,7-trimethyl-)
22414-71-7 structure
Product Name:Octanal,7-hydroxy-2,3,7-trimethyl-
CAS No:22414-71-7
MF:C11H22O2
MW:186.291183948517
CID:260173
PubChem ID:90774
Update Time:2025-04-19
Octanal,7-hydroxy-2,3,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanal,7-hydroxy-2,3,7-trimethyl-
- 7-Hydroxy-2,3,7-trimethyloctanal
- NS00049564
- DTXSID60945069
- EINECS 244-974-7
- 22414-71-7
-
- Inchi： 1S/C11H22O2/c1-9(10(2)8-12)6-5-7-11(3,4)13/h8-10,13H,5-7H2,1-4H3
- InChI Key： VPDIJXJVEYAHAP-UHFFFAOYSA-N
- SMILES： OC(C)(C)CCCC(C)C(C=O)C
Computed Properties
- Exact Mass: 186.16206
- Monoisotopic Mass: 186.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 2.2
Experimental Properties
- Density: 0.905
- Boiling Point: 264.4°Cat760mmHg
- Flash Point: 109.9°C
- Refractive Index: 1.443
- PSA: 37.3
Octanal,7-hydroxy-2,3,7-trimethyl- Related Literature
-
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
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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