3-Octanol - CAS 589-98-0
Catalog: |
BB030225 |
Product Name: |
3-Octanol |
CAS: |
589-98-0 |
Synonyms: |
(±)-3-Octanol; 1-Ethyl-1-hexanol; DL-3-Octanol; Ethylamylcarbinol; n-Octan-3-ol |
Related CAS: | 20296-29-1 (Deleted CAS)
|
IUPAC Name: | octan-3-ol |
Description: | 3-Octanol, a versatile chemical compound, plays a crucial role in pharmaceutical synthesis and fragrance production. Moreover, its application in treating neurological disorders and cancer showcases its promising therapeutic capabilities. |
Molecular Weight: | 130.23 |
Molecular Formula: | C8H18O |
Canonical SMILES: | CCCCCC(CC)O |
InChI: | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 |
InChI Key: | NMRPBPVERJPACX-UHFFFAOYSA-N |
Boiling Point: | 171°C |
Melting Point: | -45°C |
Flash Point: | 67°C |
Purity: | 95% |
Density: | 0.8279 g/cm3 |
Solubility: | Soluble in Water (Sparingly) |
Appearance: | Colorless liquid |
Storage: | Store at RT |
MDL: | MFCD00004590 |
LogP: | 2.33760 |
Refractive Index: | n20/D 1.426(lit.) |
GHS Hazard Statement: | Not Classified |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113462581-A | Fungus for producing fragrant substances | 20210812 |
KR-102302248-B1 | Conductive leather fabric and glove manufacturing method using the same | 20201221 |
CN-112608792-A | Synthetic dementholized peppermint oil composition and preparation method thereof | 20201203 |
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PMID | Publication Date | Title | Journal |
22587759 | 20120515 | Measurement of volatile organic compounds emitted in libraries and archives: an inferential indicator of paper decay? | Chemistry Central journal |
22011270 | 20120101 | Volatile constituents of Origanum vulgare L., 'thymol' chemotype: variability in North India during plant ontogeny | Natural product research |
22075025 | 20120101 | Taxon-specific metagenomics of Trichoderma reveals a narrow community of opportunistic species that regulate each other's development | Microbiology (Reading, England) |
22396667 | 20120101 | Genomic analysis of the hydrocarbon-producing, cellulolytic, endophytic fungus Ascocoryne sarcoides | PLoS genetics |
22649749 | 20120101 | Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis | Journal of analytical methods in chemistry |
Complexity: | 52.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.135765193 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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