2-Tridecanone - CAS 593-08-8
Catalog: |
BB030335 |
Product Name: |
2-Tridecanone |
CAS: |
593-08-8 |
Synonyms: |
tridecan-2-one |
IUPAC Name: | tridecan-2-one |
Description: | 2-Tridecanone (CAS# 593-08-8 ) is a useful research chemical. |
Molecular Weight: | 198.34 |
Molecular Formula: | C13H26O |
Canonical SMILES: | CCCCCCCCCCCC(=O)C |
InChI: | InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3 |
InChI Key: | CYIFVRUOHKNECG-UHFFFAOYSA-N |
Boiling Point: | 263.00 °C (EPI 4.0) |
Melting Point: | 24-27°C |
Flash Point: | >110°C |
Purity: | 99.0 % |
Density: | 0.822 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | White crystalline solid @ 25 deg c |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 4.49630 |
Refractive Index: | 1.435 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 1 mmHg at 188.2 °F ; 20 mmHg at 298.0 °F |
GHS Hazard Statement: | H400 (97.68%): 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-113456626-A | Xanthine oxidase inhibitor and screening method and application thereof | 20210816 |
CN-113122393-A | Extraction, purification and detection method of acanthaceae volatile oil and application thereof | 20210521 |
CN-112971074-A | Method for improving health function of Chinese artichoke by using lactic acid bacteria | 20210311 |
CN-112812980-A | Mixed fermentation process based on Hansenula polymorpha and saccharomyces cerevisiae | 20210219 |
CN-113150897-A | Mixed fermentation process based on meiji yeast and saccharomyces cerevisiae | 20210219 |
PMID | Publication Date | Title | Journal |
22850984 | 20121101 | Synthesis of methyl ketones by metabolically engineered Escherichia coli | Journal of industrial microbiology & biotechnology |
22477025 | 20120401 | High conservatism in the composition of scent gland secretions in cyphophthalmid harvestmen: evidence from pettalidae | Journal of chemical ecology |
22313781 | 20120101 | Metathesis-mediated synthesis of (R)-10-methyl-2-tridecanone, the southern corn rootworm pheromone | Bioscience, biotechnology, and biochemistry |
22384116 | 20120101 | Herbivory by a Phloem-feeding insect inhibits floral volatile production | PloS one |
22408409 | 20120101 | Functional expression of an orchid fragrance gene in Lactococcus lactis | International journal of molecular sciences |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.198365449 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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