1,4-pentadiene
allylethylene
Identification
| Name | 1,4-pentadiene |
| IUPAC | penta-1,4-diene |
| CAS Number | 591-93-5 |
| EINECS | 209-736-9 |
| FDA UNII | A5IF861OQ5 |
| Molecular Formula | C5 H8 |
| Molecular Weight | 68.11876000 |
| MDL Number | MFCD00008665 |
| Nikkaji Number | J43.498A |
| Beilstein | 1696934 |
| XlogP3 | 2.50 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.65900 @ 25.00 °C. |
| Refractive Index | 1.38700 to 1.39100 @ 20.00 °C. |
| Flash Point | 40.00 °F. TCC ( 4.44 °C. ) |
| Soluble in | water, 558 mg/L @ 25 °C (exp) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 1,4-pentadiene usage levels up to | not for fragrance use. |
| Recommendation for 1,4-pentadiene flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
allylethylene
penta-1,4-diene
PubMed:
Tumor-selective cytotoxicity of a novel pentadiene analogue on human leukemia/ lymphoma cells.
PubMed:
Unusual Reactivity of Sodium Tetramesityltetraphosphanediide towards Cyclohexyl Isocyanide.
PubMed:
Chirality Induced by the Interaction of CâC and CâX Bonds (XâCH2, NH, NH2(+), O, and S) Separated by a Methylene Group.
PubMed:
Detection of volatile metabolites of moulds isolated from a contaminated library.
PubMed:
Benchmark Calculations for Bond Dissociation Enthalpies of Unsaturated Methyl Esters and the Bond Dissociation Enthalpies of Methyl Linolenate.
PubMed:
TALEN-Based Mutagenesis of Lipoxygenase LOX3 Enhances the Storage Tolerance of Rice (Oryza sativa) Seeds.
PubMed:
Preparation and synthetic value of Ï-bond-rich branched hydrocarbons.
PubMed:
Sequence variation and haplotypes of lipoxygenase gene LOX-1 in the Australian barley varieties.
PubMed:
[Physiological aspects of lipoxygenase in plant signaling systems part I. Octadecanoid pathway].
PubMed:
Development of a new colorimetric assay for lipoxygenase activity.
PubMed:
Microwave studies on 1,4-pentadiene: CH2âCH-CH2-CHâCH2; transformations among the three rotational isomers.
PubMed:
Bioactives and nutraceutical phytochemicals naturally occurring in virgin olive oil. The case study of the Nocellara del Belice Italian olive cultivar.
PubMed:
Thermal denitrogenation of 7-isopropylidene-2,3-diaza-norbornene: formation of substituted 3-methylene-(1,4)-pentadienes.
PubMed:
Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations.
PubMed:
Comparison of harmful gases produced during GreenLight High-Performance System laser prostatectomy and transurethral resection of the prostate.
PubMed:
Characterization of C5 hydrocarbons relevant to catalysis.
PubMed:
Synthesis of 86 species of 1,5-diaryl-3-oxo-1,4-pentadienes analogs of curcumin can yield a good lead in vivo.
PubMed:
Harmful gases including carcinogens produced during transurethral resection of the prostate and vaporization.
PubMed:
A novel synthesis of SO(3)H type gemini surfactant having semifluoroalkyl group as hydrophobic group.
PubMed:
Iron-promoted synthesis of substituted 1-halo-1,4-pentadienes by reaction of 1,3-diarylpropenes with ethynylbenzenes via sp(3) C-H bond activation.
PubMed:
Partially disturbed lamellar granule secretion in mild congenital ichthyosiform erythroderma with ALOX12B mutations.
PubMed:
Structure-activity relationship of C5-curcuminoids and synthesis of their molecular probes thereof.
PubMed:
Herbivore response in passion fruit (Passiflora edulis Sims) plants: induction of lipoxygenase activity in leaf tissue in response to generalist and specialist insect attack.
PubMed:
[Advances in plant lipoxygenases research].
PubMed:
Computational investigation of the mechanism of addition of singlet carbenes to bicyclobutanes.
PubMed:
Conversion of methane to liquid products, hydrogen, and ammonia with environmentally friendly condition-based microgap discharge.
PubMed:
Synthesis of amphidinolide E C10-C26 fragment.
PubMed:
Nonenzymatic Pathway of PUFA Oxidation. A First-Principles Study of the Reactions of OH Radical with 1,4-Pentadiene and Arachidonic Acid.
PubMed:
Energetics of the allyl group.
PubMed:
Calculational and experimental investigations of the pressure effects on radical-radical cross combination reactions: C2H5+C2H3.
PubMed:
Evidence for oxylipin synthesis and induction of a new polyunsaturated fatty acid hydroxylase activity in Chondrus crispus in response to methyljasmonate.
PubMed:
Combined NMR and quantum chemical studies on the interaction between trehalose and dienes relevant to the antioxidant function of trehalose.
PubMed:
Ionizing radiation-induced destruction of benzene and dienes in aqueous media.
PubMed:
Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations.
PubMed:
Catalytic, efficient, and syn-selective construction of deoxypolypropionates and other chiral compounds via Zr-catalyzed asymmetric carboalumination of allyl alcohol.
PubMed:
Additivity rule holds in the hydrogen transfer reactivity of unsaturated fatty acids with a peroxyl radical: mechanistic insight into lipoxygenase.
PubMed:
C-H activation by a mononuclear manganese(III) hydroxide complex: synthesis and characterization of a manganese-lipoxygenase mimic?
PubMed:
Understanding the puzzling chemistry of bicyclo[2.1.0]pentane.
PubMed:
Isolation and anti-oomycete activity of nyasol from Anemarrhena asphodeloides rhizomes.
PubMed:
Identification of oxidized derivatives of neuroketals.
PubMed:
Flash photolysis of (E)-1,2-bis(1-chloro-1-phenylmethyl)cyclopropane. Generation of 1,5-diphenylpentadienyl radical and 1,5-diphenylpentadienylium cation.
PubMed:
C-H bond activation by a ferric methoxide complex: modeling the rate-determining step in the mechanism of lipoxygenase.
PubMed:
A computational study of the factors controlling triplet-state reactivity in 1,4-pentadiene
PubMed:
Acid-promoted reactions of ethyl linoleate with nitrite ions: formation and structural characterization of isomeric nitroalkene, nitrohydroxy, and novel 3-nitro-1,5-hexadiene and 1,5-dinitro-1, 3-pentadiene products.
PubMed:
Detection of antifungal activity in Anemarrhena asphodeloides by sensitive BCT method and isolation of its active compound.
PubMed:
Novel Radical Cation Reactions of Bichromophoric Systems. Transannular Aryl Migrations; Mechanistic and Exploratory Organic Photochemistry(,)(1)(,)(2).
PubMed:
Synthesis of New Bidentate Phosphine Ligands Containing Saturated Phosphorus Heterocycles.
PubMed:
Molecular motions and dynamics of a diunsaturated acyl chain in a lipid bilayer: implications for the role of polyunsaturation in biological membranes.
PubMed:
Metabolism of sodium nifurstyrenate, a veterinary antimicrobial nitrofuran, in animals and fish.
PubMed:
Keto fatty acids not containing doubly allylic methylenes are lipoxygenase substrates.
PubMed:
Irreversible inhibition of soybean lipoxygenase-1 by hydroperoxy acids as substrates.
PubMed:
Average structural and motional properties of a diunsaturated acyl chain in a lipid bilayer: effects of two cis-unsaturated double bonds.
PubMed:
Determination of cis,cis-methylene interrupted polyunsaturated fatty acids in aqueous solutions by lipoxygenase chemiluminescence.
PubMed:
Inhibition of lipid peroxidation by casein. Evidence of molecular encapsulation of 1,4-pentadiene fatty acids.
PubMed:
Assays of lipoxygenase, 1,4-pentadiene fatty acids, and O2 concentrations: chemiluminescence methods.
PubMed:
A structural model for the interaction of haem with unsaturated fatty acids explaining its quasi-lipoxygenase activity. Quantum chemical calculations.
PubMed:
New reactions and theory in organic photochemistry: The 1,3-vinyl migration and its relevance to exchange integral control.
PubMed:
Biochemistry of lipoxygenase in relation to food quality.
PubMed:
Mass spectrometric investigation of minor products in the radiolysis of liquid cyclopentane.
PubMed:
Some observations on the kinetics of hydrogen iodide addition to 1,3- and 1,4-pentadiene.