Pentacosane - CAS 629-99-2
Catalog: |
BB031931 |
Product Name: |
Pentacosane |
CAS: |
629-99-2 |
Synonyms: |
pentacosane |
IUPAC Name: | pentacosane |
Description: | Pentacosane (CAS# 629-99-2) is a useful isotopically labeled research compound. |
Molecular Weight: | 352.68 |
Molecular Formula: | C25H52 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCC |
InChI: | InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 |
InChI Key: | YKNWIILGEFFOPE-UHFFFAOYSA-N |
Boiling Point: | 169-170 °C / 0.05 mmHg (lit.) |
Melting Point: | 53.3 °C |
Flash Point: | 120 °C (248 °F) - closed cup |
Density: | 0.778 g/cm3 |
Solubility: | In water, 2.046X10-8 mg/L at 25 °C (est) |
Appearance: | White solid |
LogP: | 9.99850 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 1.51X10-6 mm Hg at 25 °C (extrapolated) |
GHS Hazard Statement: | H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] |
Precautionary Statement: | P301+P310, P331, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113466383-A | Method for screening organic volatile risk substances in contact material of wine | 20210721 |
CN-113499334-A | Wild jujube fruit antibacterial sensitization active refined substance and preparation method and application thereof | 20210624 |
CN-113247912-A | Ultra-low density silica aerogel with adjustable transparency, and preparation method and application thereof | 20210617 |
CN-113321319-A | Sewage purification active bacteria sustained-release product | 20210607 |
CN-113016986-A | Method for improving flavor substances of day lily | 20210329 |
PMID | Publication Date | Title | Journal |
22423857 | 20120314 | Phase transitions between the rotator phases of paraffin investigated using silicon microcantilevers | The Journal of chemical physics |
22292044 | 20120101 | Genes involved in sex pheromone discrimination in Drosophila melanogaster and their background-dependent effect | PloS one |
22619691 | 20120101 | Chemical Composition and In Vitro Cytotoxic Activity of Essential Oil of Leaves of Malus domestica Growing in Western Himalaya (India) | Evidence-based complementary and alternative medicine : eCAM |
21573235 | 20110504 | Recognition in ants: social origin matters | PloS one |
21615063 | 20110501 | Gas-chromatography and electroantennogram analysis of saturated hydrocarbons of cruciferous host plants and host larval body extracts of Plutella xylostella for behavioural manipulation of Cotesia plutellae | Indian journal of experimental biology |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 352.406901659 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.406901659 |
Rotatable Bond Count: | 22 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 13.1 |
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