4-pentenal

pent-4-enal

CAS: 2100-17-6 C5 H8 O MW: 84.11796000 roasted

Identification

Name4-pentenal
IUPACpent-4-enal
CAS Number2100-17-6
EINECS218-265-8
FDA UNII71K1W8950B
Molecular FormulaC5 H8 O
Molecular Weight84.11796000
MDL NumberMFCD00151841
Nikkaji NumberJ49.957I
Beilstein1734369

Regulatory

JECFA Food Flavoring1619 4-pentenal
DG SANTE Food Flavourings05.174 pent-4-enal
FEMA Number4262
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)2100-17-6 ; 4-PENTENAL

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.84900 to 0.85500 @ 25.00 °C.
Pounds per Gallon - (est). 7.065 to 7.114
Refractive Index 1.41300 to 1.42000 @ 20.00 °C.
Boiling Point 99.00 °C. @ 760.00 mm Hg, 103.00 °C. @ 760.00 mm Hg
Vapor Pressure 42.851002 mmHg @ 25.00 °C. (est)
Flash Point 26.00 °F. TCC ( -3.40 °C. ) (est)
logP (o/w) 0.962 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Preferred SDSView
Oral/Parenteral Toxicitygavage-rat LD50 [sex: F] 620 mg/kg
Dermal Toxicityskin-rabbit LD50 1590 ul/kg
Inhalation Toxicityinhalation-rat TCLo 250 ppm/4hours

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 4-pentenal usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.11 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.00500
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.00500
snack foods0.00500
soft candy-
soups0.00500
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

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Potential Uses

FL meat

Natural Occurrence

guava fruit

Synonyms

pent-4-enal 4- penten-1-al PubMed: Theoretical investigation of Co(0)-catalyzed intramolecular hydroacylation of 4-pentenal. PubMed: Combined effect of osteopontin and BMP-2 derived peptides grafted to an adhesive hydrogel on osteogenic and vasculogenic differentiation of marrow stromal cells. PubMed: UV photolysis of α-cyclohexanedione in the gas phase. PubMed: Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds. PubMed: Indium-copper and indium-silver mediated barbier-grignard-type alkylation reaction of aldehydes using unactivated alkyl halides in water. PubMed: Evaluation of lipid oxidation and oxidative products as affected by pork meat cut, packaging method, and storage time during frozen storage (-10 degrees C). PubMed: Chemistry and stereochemistry of the interaction of the water-soluble phosphine [HO(CH2)3]3P with cinnamaldehyde in aqueous media. PubMed: One-Pot synthesis of gamma,delta-unsaturated carbonyl compounds from allyl alcohols and vinyl or isopropenyl acetates catalyzed by [IrCl(cod)]2. PubMed: Asymmetric claisen rearrangements enabled by catalytic asymmetric Di(allyl) ether synthesis. PubMed: Formation and decomposition of chemically activated cyclopentoxy radicals from the c-C5H9 + O reaction. PubMed: Catalyzed olefin isomerization leading to highly stereoselective Claisen rearrangements of aliphatic allyl vinyl ethers. PubMed: Hydrogen abstraction from thiols by adenosyl radicals: chemical precedent for thiyl radical formation, the first catalytic step in ribonucleoside triphosphate reductase from Lactobacillus leichmannii. PubMed: Volatile components of roots, stems, leaves, and flowers of Echinacea species. PubMed: Enzymatic synthesis of diastereospecific carbacephem intermediates using serine hydroxymethyltransferase. PubMed: A Concise Total Synthesis of Dactylol via Ring Closing Metathesis. PubMed: Synthesis and biological activity of sinefungin analogues.