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2-Ethyl-1,3-hexanediol - 98%,Mixture of isomers, high purity , CAS No.94-96-2
Basic Description
| Synonyms |
ETHOHEXADIOL [MART.] | 2-ethyl-1,3-hexane diol | NCGC00256943-01 | Tox21_303253 | Ethohexadiol [USP] | FT-0612228 | 2-ethyl-hexane-1,3-diol | 2-Ethylhexane-1,3-diol | Ethyl hexylene glycol | MFCD00004578 | EINECS 202-377-9 | ETHOHEXADIOL [WHO-DD] | DTXSID |
| Specifications & Purity |
≥98%, mixture of isomers |
| Storage Temp |
Argon charged |
| Shipped In |
Normal |
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action |
Action Type |
target ID |
Target Name |
Target Type |
Target Organism |
Binding Site Name |
References |
Names and Identifiers
| Pubchem Sid |
504751269 |
| Pubchem Sid Url |
https://pubchem.ncbi.nlm.nih.gov/substance/504751269 |
| IUPAC Name |
2-ethylhexane-1,3-diol |
| INCHI |
InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3 |
| InChIKey |
RWLALWYNXFYRGW-UHFFFAOYSA-N |
| Smiles |
CCCC(C(CC)CO)O |
| Isomeric SMILES |
CCCC(C(CC)CO)O |
| WGK Germany |
1 |
| RTECS |
MO2625000 |
| Molecular Weight |
146.23 |
| Beilstein |
1735324 |
| Reaxy-Rn |
1735324 |
| Reaxys-RN_link_address |
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735324&ln= |
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility |
Soluble in water (42g/L at 20°C). Soluble in alcohol and ether. |
| Sensitivity |
Hygroscopic. |
| Refractive Index |
1.453 |
| Flash Point(°F) |
248 °F |
| Flash Point(°C) |
136℃ |
| Boil Point(°C) |
243°C |
| Melt Point(°C) |
<-40°C |
| Molecular Weight |
146.230 g/mol |
| XLogP3 |
1.300 |
| Hydrogen Bond Donor Count |
2 |
| Hydrogen Bond Acceptor Count |
2 |
| Rotatable Bond Count |
5 |
| Exact Mass |
146.131 Da |
| Monoisotopic Mass |
146.131 Da |
| Topological Polar Surface Area |
40.500 Ų |
| Heavy Atom Count |
10 |
| Formal Charge |
0 |
| Complexity |
73.700 |
| Isotope Atom Count |
0 |
| Defined Atom Stereocenter Count |
0 |
| Undefined Atom Stereocenter Count |
2 |
| Defined Bond Stereocenter Count |
0 |
| Undefined Bond Stereocenter Count |
0 |
| The total count of all stereochemical bonds |
0 |
| Covalently-Bonded Unit Count |
1 |
Citations of This Product
|
1.
Hao-Xiang Gao, Jie Yu, Nan Chen, Wei-Cai Zeng.
(2020)
Effects and mechanism of tea polyphenols on the quality of oil during frying process.
JOURNAL OF FOOD SCIENCE,
85
(11):
(3786-3796).
|
|
2.
Zhihao Niu, Yimin Wang, Xin Wang, Dexian Yin, Tao Shou, Pengfei Cao, Xiuying Zhao, Shikai Hu, Liqun Zhang.
(2024)
Investigating the Effect of Chain Extender on the Phase Separation and Mechanical Properties of Polybutadiene-Based Polyurethane.
MACROMOLECULAR RAPID COMMUNICATIONS,
45
(19):
(2400259).
|
|
3.
Jia Li, Guoquan Zhang, Mingzhi Luo, Gaomiao Li, Jun He.
(2025)
Separation and utilization of lithium, magnesium, and boron resources from salt lakes through Ionic liquid extraction and CO2 mineralization.
SEPARATION AND PURIFICATION TECHNOLOGY,
358
(130444).
|
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