cis-2-Penten-1-ol - CAS 1576-95-0
Catalog: |
BB011345 |
Product Name: |
cis-2-Penten-1-ol |
CAS: |
1576-95-0 |
Synonyms: |
(Z)-pent-2-en-1-ol |
IUPAC Name: | (Z)-pent-2-en-1-ol |
Description: | cis-2-Penten-1-ol (CAS# 1576-95-0) is one of the aroma volatiles in basil and thyme leaves with antioxidant activity. |
Molecular Weight: | 86.13 |
Molecular Formula: | C5H10O |
Canonical SMILES: | CCC=CCO |
InChI: | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3- |
InChI Key: | BTSIZIIPFNVMHF-ARJAWSKDSA-N |
Boiling Point: | 138.00 °C (EPI 4.0) |
Flash Point: | 48°C |
Purity: | 98.0 % (sum of isomers) |
Density: | 0.853 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. |
MDL: | MFCD00063208 |
LogP: | 0.94490 |
Refractive Index: | 1.433 : 1.439 at 20 deg C |
Stability: | Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents. Flammable. |
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 |
22420269 | 20120201 | Field attraction of the vine weevil Otiorhynchus sulcatus to kairomones | Journal of economic entomology |
21995489 | 20111110 | Kinetics studies of the gas-phase reactions of NO3 radicals with series of 1-alkenes, dienes, cycloalkenes, alkenols, and alkenals | The journal of physical chemistry. A |
21597189 | 20110101 | Protective group-free syntheses of (±)-frontalin, (±)-endo-brevicomin, (±)-exo-brevicomin, and (±)-3,4-dehydro-exo-brevicomin: racemic pheromones with a 6,8-dioxabicyclo[3.2.1]octane ring | Bioscience, biotechnology, and biochemistry |
20718023 | 20101201 | Freshness characterisation of whiting (Merlangius merlangus) using an SPME/GC/MS method and a statistical multivariate approach | Journal of the science of food and agriculture |
20714602 | 20101014 | Kinetics and mechanism of the atmospheric reactions of atomic chlorine with 1-penten-3-ol and (Z)-2-penten-1-ol: an experimental and theoretical study | Physical chemistry chemical physics : PCCP |
Complexity: | 39.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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