1-Penten-3-ol - CAS 616-25-1
Catalog: |
BB031201 |
Product Name: |
1-Penten-3-ol |
CAS: |
616-25-1 |
Synonyms: |
pent-1-en-3-ol |
IUPAC Name: | pent-1-en-3-ol |
Description: | 1-Penten-3-ol (CAS# 616-25-1) is a useful research chemical. |
Molecular Weight: | 86.13 |
Molecular Formula: | C5H10O |
Canonical SMILES: | CCC(C=C)O |
InChI: | InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3 |
InChI Key: | VHVMXWZXFBOANQ-UHFFFAOYSA-N |
Boiling Point: | 115.00 °C (EPI 4.0) |
Flash Point: | 25°C |
Purity: | 99.0 % |
Density: | 0.839 g/cm3 |
Solubility: | Insoluble in water and alcohol |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00004573 |
LogP: | 0.94330 |
Refractive Index: | 1.423 : 1.427 at 20 deg C |
Stability: | Stable. Flammable - note flashpoint is close to room temperature. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 9.68 [mmHg] |
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 |
23017416 | 20130101 | Determination of volatile compounds in New Zealand Greenshell™ mussels (Perna canaliculus) during chilled storage using solid phase microextraction gas chromatography-mass spectrometry | Food chemistry |
22981572 | 20121101 | Oxidative stability of an extended shelf-life dairy-based beverage system designed to contribute to heart health | Journal of dairy science |
22752178 | 20120901 | Synthesis of short-chain diols and unsaturated alcohols from secondary alcohol substrates by the Rieske nonheme mononuclear iron oxygenase MdpJ | Applied and environmental microbiology |
21831229 | 20120801 | Fatty acid composition, oxidative stability and sensory quality of meat from broiler chicken fed autolysate from bacteria grown on natural gas | Journal of animal physiology and animal nutrition |
22520499 | 20120601 | Phytochemicals to suppress Fusarium head blight in wheat-chickpea rotation | Phytochemistry |
Complexity: | 41.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 86.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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