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valeraldehyde
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 |
|
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 |
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 |
Suppliers
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
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Banana , Cedar , Celery , Clary sage oil replacer , Coffee , Cranberry , Currant , Fruit , Grape , Guava , Huckleberry , Vanilla |
| Flavoring purposes | Asparagus , Bread , Carrot , Cheese , Chocolate cocoa , Nut , Pea green pea , Tomato |
| Other purposes | Dry |
| Cosmetic purposes | Perfuming agents |
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 ppm | average 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 |