2-Butyl-1-octanol - CAS 3913-02-8
Catalog: |
BB023851 |
Product Name: |
2-Butyl-1-octanol |
CAS: |
3913-02-8 |
Synonyms: |
2-butyloctan-1-ol |
IUPAC Name: | 2-butyloctan-1-ol |
Description: | 2-Butyl-1-octanol (CAS# 3913-02-8) is used as a precursor in the synthesis of 5-(Bromomethyl)-undecane (B687375); a useful reagent in the preparation of alkyl triazole glycosides (ATGs) which is a new class of bio-related sufactants. |
Molecular Weight: | 186.3 |
Molecular Formula: | C12H26O |
Canonical SMILES: | CCCCCCC(CCCC)CO |
InChI: | InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3 |
InChI Key: | XMVBHZBLHNOQON-UHFFFAOYSA-N |
Boiling Point: | 145-149 °C |
Melting Point: | < -30°C |
Flash Point: | 110°C |
Purity: | 95 % |
Density: | 0.833 g/mL at 25°C(lit.) |
Appearance: | Clear liquid |
Storage: | -20°C |
LogP: | 3.75550 |
Refractive Index: | 1.439 |
Stability: | Stable. Incompatible with strong oxidizing agents. Combustible. |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112933023-A | Traditional Chinese medicine composition with whitening effect | 20210416 |
CN-112794992-A | Method for efficiently preparing polythiophene derivative by using microwave technology | 20210107 |
CN-113354804-A | Fatty alcohol polyoxypropylene ether oxyacid and salt thereof | 20201231 |
CN-112641856-A | Anti-aging traditional Chinese medicine composition | 20201229 |
JP-6923978-B1 | Sizing agents for inorganic fibers, inorganic fibers, their manufacturing methods, and composite materials | 20201221 |
PMID | Publication Date | Title | Journal |
18990492 | 20090615 | Anaerobic degradation of nonylphenol in subtropical mangrove sediments | Journal of hazardous materials |
17120277 | 20060101 | The scent of urine spots of male mice, Mus musculus: Changes in chemical composition over time | Rapid communications in mass spectrometry : RCM |
Complexity: | 91.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.198365449 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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