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

4-pentenal
pent-4-enal

Supplier Sponsors

Name:pent-4-enal
CAS Number: 2100-17-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-265-8
FDA UNII:71K1W8950B
Nikkaji Web:J49.957I
Beilstein Number:1734369
MDL:MFCD00151841
XlogP3-AA:0.80 (est)
Molecular Weight:84.11796000
Formula:C5 H8 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1619 4-pentenal
FLAVIS Number:05.174 (Old)
DG SANTE Food Flavourings:05.174 pent-4-enal
FEMA Number:4262 4-pentenal
FDA:No 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
Boiling Point: 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
 water, slightly
 water, 1.284e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: roasted
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
roasted
Odor Description:at 0.10 % in propylene glycol. roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Pentenal
Parchem
4-pentenal
Penta International
4-PENTENAL
Santa Cruz Biotechnology
For experimental / research use only.
4-Pentenal
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Pentenal
 
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:
gavage-rat LD50 [sex: F] 620 mg/kg
(Smyth et al., 1962)

oral-rat LD50 620 mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity:
skin-rabbit LD50 1590 ul/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
inhalation-rat TCLo 250 ppm/4hours
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

 
Safety in Use Information:
Category: flavoring agents
Recommendation for 4-pentenal usage levels up to:
 not 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 Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
 average usual ppmaverage maximum ppm
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: --
gravies: 0.005000.10000
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 / flavors: 0.005000.10000
snack foods: 0.005000.10000
soft candy: --
soups: 0.005000.10000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf

EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):2100-17-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16418
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pent-4-enal
Chemidplus:0002100176
 
References:
 pent-4-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16418
Pubchem (sid):134982043
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32458
FooDB:FDB010035
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
3-(
ethyl thio) butanol
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
meaty
meaty
propyl 2-mercaptopropionate
FL
nutty
2-
butyl-2-butenal
FL
roasted
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
sulfurous
2,4,6-
trithiaheptane 10% in triacetin
FL
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 guava fruit
Search Trop Picture
 
Synonyms:
 pent-4-enal
4-penten-1-al
 

Articles:

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.
 
Notes:
Used as a food additive [EAFUS]
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