We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

valeraldehyde

Chemical Structure

General Material Information

Preferred name valeraldehyde
Trivial Name Pentanal
Short Description valeric aldehyde
Formula C5 H10 O
CAS Number 110-62-3
FEMA Number 3098
Flavis Number 5.005
ECHA Number 203-784-4
FDA UNII B975S3014W
Nikkaji Number J5.096B
Beilstein Number 1616304
MDL MFCD00007026
COE Number 93
xLogP3-AA 1.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 89 valeraldehyde
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 110-62-3 ; VALERALDEHYDE
Synonyms
  • aldehyde C-5
  • amyl aldehyde
  • amylaldehyde
  • butyl formal
  • pentan-1-al
  • pentanal
  • N- pentanal
  • pentyl aldehyde
  • sucol B
  • valeral
  • N- valeraldehyde
  • valeraldehyde FCC
  • valeraldehyde, natural
  • valerianic aldehyde
  • valeric acid aldehyde
  • valeric aldehyde
  • N- valeric aldehyde
  • valericaldehyde
  • valeryl aldehyde
  • valerylaldehyde
  • n-Valeraldehyde
  • n-Pentanal
  • Pentylaldehyde
  • NSC 35404

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

pentanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-62-3
Pubchem (cid):8063
Pubchem (sid):134974520
Flavornet:110-62-3
Pherobase:View
Publications by PubMed
An Exploration on the Suitability of Airborne Carbonyl Compounds Analysis in relation to Differences in Instrumentation (GC-MS versus HPLC-UV) and Standard Phases (Gas versus Liquid).
Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry's law constant.
Experimental approach to assess sorptive loss properties of volatile organic compounds in the sampling bag system.
Functional characterizations of chemosensory proteins of the alfalfa plant bug Adelphocoris lineolatus indicate their involvement in host recognition.
Novel approach to test the relative recovery of liquid-phase standard in sorbent-tube analysis of gaseous volatile organic compounds.
Rapid analysis of aldehydes by simultaneous microextraction and derivatization followed by GC-MS.
Ambient levels of atmospheric carbonyls in Beijing during the 2008 Olympic Games.
A combined application of thermal desorber and gas chromatography to the analysis of gaseous carbonyls with the aid of two internal standards.
Preparation of furan and thiophene-derived fulvene dialdehydes: synthesis and structural characterization of a 22-oxa-21-carbaporphyrin and a related palladium(II) organometallic complex.
Determination of aldehydes in rainwater using micro-solid-phase extraction and high-performance liquid chromatography.
Seasonal and diurnal variations of carbonyl compounds in the urban atmosphere of Guangzhou, China.
Sorptive removal of odorous carbonyl gases by water.
Experimental demonstration of masking phenomena between competing odorants via an air dilution sensory test.
Influences of sampling volume and sample concentration on the analysis of atmospheric carbonyls by 2,4-dinitrophenylhydrazine cartridge.
Chemical profile of rums as a function of their origin. The use of chemometric techniques for their identification.
Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum.
Enantio- and diastereocontrolled total synthesis of (+)-boronolide.
[Determination of major flavor components in chinese spirits using a special domestic gas chromatograph with DNP packed column].
[Pollution survey of carbonyl compounds in train air].
Determination of aliphatic aldehydes by liquid chromatography with pulsed amperometric detection.
Ambient, indoor and personal exposure relationships of volatile organic compounds in Mexico City Metropolitan Area.
[Use of chromato-mass-spectrometry for the differential diagnosis of suppurative and nonsuppurative inflammations in the maxillofacial area in children].
Stereocontrolled synthesis of (+)-boronolide.
Vapor/Solid chemisorption model for passive sampling of aldehydes.
Evaluation of n-valeraldehyde modified chitosan as a matrix for hydrophobic interaction chromatography.
Time-weighted average sampling of airborne n-valeraldehyde by a solid-phase microextration device.
Observation of volatile and semi-volatile carbonyls in an Algerian urban environment using dinitrophenylhydrazine/silica-HPLC and pentafluorophenylhydrazine/silica-GC-MS.
Determination of carbonyl compounds in air by electrochromatography.
Synthesis of the O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine oximes of selected carbonyl compounds and their determination by liquid chromatography with ultraviolet detection.
Airborne aldehydes from heating rosin core solder and liquid rosin flux to soldering temperatures.
Optimization of a solid sorbent dynamic personal air sampling method for aldehydes.
A new passive sampler for regulated workplace aldehydes.
Comparative evaluation of cytotoxicity and metabolism of four aldehydes in two hepatoma cell lines.
DNA single and double strand breaks induced by aliphatic and aromatic aldehydes in combination with copper (II).
Regulation by progesterone and pregnenolone of dimeric aldehyde dehydrogenase from rat testis cytoplasm.
Behavioral responses to food volatiles by two species of stored-product coleoptera,Sitophilus oryzae (curculionidae) andTribolium castaneum (tenebrionidae).
Heat sterilization of fluids for peritoneal dialysis gives rise to aldehydes.
Catalysis by cytochrome P-450 of an oxidative reaction in xenobiotic aldehyde metabolism: deformylation with olefin formation.
Microsomal metabolism of the Z and E isomers of N-nitroso-N-methyl-N-n-pentylamine.
Blood and brain n-pentanol in inhalation exposure.
DNA-damaging activity of biotic and xenobiotic aldehydes in Chinese hamster ovary cells.
Phencyclidine metabolism in vitro. The formation of a carbinolamine and its metabolites by rabbit liver preparations.
Efficiency of proton extrusion by chemically modified mitochondria.
Effects of aliphatic alcohols and aldehydes on fluidity of spin-labeled synaptosomal plasma membranes.
[Synthesis of long chain alkyne and alkene ketoalcohols and their derivatives].
The role of (14C, 15N)5-(methylthio) valeraldehyde oxime as a precursor of progoitrin.
Attraction of flies by iso-valeraldehyde.
Preparation of dihydropyran delta-hydroxyvaleraldehyde and 1,5-pentanediol from tetrahydrofurfuryl alcohol.
Publications by J-Stage
Purification and Characterization of Alcohol Dehydrogenase Reducing N-Benzyl-3-Pyrrolidinone from Geotrichum capitatum

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31206
FooDB:FDB003228
Export Tariff Code:2912.19.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 86.133903503418
Specific gravity @ 25 °C
Pounds per Gallon 6.698 to 6.732
Refractive Index 1.39 to 1.395 @ 20 °C
Boiling Point 102 to 103°C @ 760 mm Hg
Acid Value 5 max KOH/g
Vapor Pressure 31.792 mmHg @ 25 °C
Vapor Density 3
Flash Point TCC Value 12.78 °C TCC
logP (o/w) 1.423 est
Solubility
alcohol Yes
water, 1.17E+04 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fermented
fermented, bready, fruity, nutty, berry
General comment At 1.00 % in dipropylene glycol. fermented bready fruity nutty berry
Mosciano, Gerard P&F 19, No. 2, 55, (1994) Diffusive, fermented, bready, fruity with berry nuances
Flavor Type: Winey
winey, fermented, bready, cocoa, chocolate
Mosciano, Gerard P&F 19, No. 2, 55, (1994) At 25.00 ppm. Winey, fermented, bready, cocoa chocolate notes
An intense topnote for coffee and chocolate flavors. Coffee

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 20 - Harmful by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
oral-rat LD50 5660 ul/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

oral-mouse LD50 6400 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.

intraperitoneal-rat LD50 400 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533619

intraperitoneal-mouse LD50 200 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533619

Dermal Toxicity:
skin-rabbit LD50 5 ml/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0535072

skin-guinea pig LD50 20000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.

subcutaneous-mouse LD50 2000 mg/kg
Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956.

Inhalation Toxicity:
inhalation-rat LCLo 4000 ppm/4H
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for valeraldehyde usage levels up to:
2.0000 % in the fragrance concentrate.
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -5.40000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

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

Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):110-62-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8063
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2058
WGK Germany:1
pentanal
Chemidplus:0000110623
EPA/NOAA CAMEO:hazardous materials
RTECS:110-62-3