EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1,4-pentadiene
allylethylene

Supplier Sponsors

Name:penta-1,4-diene
CAS Number: 591-93-5Picture of molecule3D/inchi
Other(deleted CASRN):39610-14-5
ECHA EINECS - REACH Pre-Reg:209-736-9
FDA UNII: A5IF861OQ5
Nikkaji Web:J43.498A
Beilstein Number:1696934
MDL:MFCD00008665
XlogP3:2.50 (est)
Molecular Weight:68.11876000
Formula:C5 H8
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,4-Pentadiene 99%
TCI AMERICA
For experimental / research use only.
1,4-Pentadiene >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):591-93-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11587
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
penta-1,4-diene
Chemidplus:0000591935
EPA/NOAA CAMEO:hazardous materials
 
References:
 penta-1,4-diene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:591-93-5
Pubchem (cid):11587
Pubchem (cas):591-93-5
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.24.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 mangosteen
Search Trop Picture
 
Synonyms:
 allylethylene
 penta-1,4-diene
 

Articles:

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 C═C and C═X Bonds (X═CH2, 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 π-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: CH2═CH-CH2-CH═CH2; 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.
 
Notes:
None found
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