3-Methyl-1-pentanol - CAS 589-35-5
Catalog: |
BB030211 |
Product Name: |
3-Methyl-1-pentanol |
CAS: |
589-35-5 |
Synonyms: |
3-methylpentan-1-ol |
IUPAC Name: | 3-methylpentan-1-ol |
Description: | 3-Methyl-1-pentanol (CAS# 589-35-5) is also an intermediate in the manufacture of other chemicals, such as novel branched alkyl carbamates, having anticonvulsant activity. |
Molecular Weight: | 102.17 |
Molecular Formula: | C6H14O |
Canonical SMILES: | CCC(C)CCO |
InChI: | InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3 |
InChI Key: | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
Boiling Point: | 145.86 °C (EPI 4.0) |
Flash Point: | 58.9°C |
Purity: | 99.0 % |
Density: | 0.814 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 1.41490 |
Refractive Index: | 1.416 : 1.423 at 20 deg C |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22701113 | 20120101 | Recent progress in synthetic biology for microbial production of C3-C10 alcohols | Frontiers in microbiology |
21341698 | 20110323 | Aroma changes due to second fermentation and glycosylated precursors in Chardonnay and Riesling sparkling wines | Journal of agricultural and food chemistry |
20860033 | 20100901 | Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others | Chemistry & biodiversity |
20659646 | 20100701 | Fragrance material review on 3-methyl-1-pentanol | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
20449640 | 20100601 | Male and female noctuid moths attracted to synthetic lures in Europe | Journal of chemical ecology |
Complexity: | 35.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.104465066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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