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isobutyraldehyde
General Material Information
| Preferred name | isobutyraldehyde |
| Trivial Name | Isobutyraldehyde |
| Short Description | 2-methyl-1-propanal |
| Formula | C4 H8 O |
| CAS Number | 78-84-2 |
| Deleted CAS Number | 26140-46-5 |
| FEMA Number | 2220 |
| Flavis Number | 5.004 |
| ECHA Number | 201-149-6 |
| FDA UNII | C42E28168L |
| Nikkaji Number | J1.483D |
| Beilstein Number | 0605330 |
| MDL | MFCD00006980 |
| COE Number | 92 |
| xLogP3-AA | 0.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 252 isobutyraldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 78-84-2 ; ISOBUTYRALDEHYDE |
| 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
| 2-methylpropanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 78-84-2 |
| Pubchem (cid): | 6561 |
| Pubchem (sid): | 134971080 |
| Flavornet: | 78-84-2 |
| 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 |
| KEGG (GenomeNet): | C03219 |
| HMDB (The Human Metabolome Database): | HMDB31243 |
| FooDB: | FDB003271 |
| YMDB (Yeast Metabolome Database): | YMDB00482 |
| Export Tariff Code: | 2912.19.4000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grades or purity: dry grade: 98.0%; wet grade: 96.0%; commercial 97%. | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 72.106956481934 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.515 to 6.557 |
| Refractive Index | 1.3723 to 1.382 @ 20 °C |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 173 mmHg @ 25 °C |
| Vapor Density | 2.4 |
| Flash Point TCC Value | -18.89 °C TCC |
| logP (o/w) | 0.74 |
| Solubility | |
| alcohol | Yes |
| water, 1:10 | Yes |
| water, 3.124e+004 mg/L @ 25 °C (est) | Yes |
| water, 8.90E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Aldehydic | |
| fresh, aldehydic, floral, pungent | |
| Odor strength | high , recommend smelling in a 0.10 % solution or less |
| Substantivity | 84 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 0.10 % in dipropylene glycol. fresh aldehydic floral green |
| VCF-online | Burnt, caramel, cocoa, floral, fresh, green, malt, nut |
| Flavor Type: Aldehydic | |
| fresh, aldehydic, herbal, green, malty | |
| Luebke, William tgsc, (1987) | Fresh aldehydic herbal green malty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Currant , Fruit , Tobacco |
| Flavoring purposes | Apple , Beer , Bread white bread , Carrot , Fish , Green , Whiskey |
| Other purposes | Clean , Fresh , Modern |
| Cosmetic purposes | Nail conditioning , Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 07/09 - Keep container tightly closed and in well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 33 - Take precautionary measures against static discharge. 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 960 mg/kg GASTROINTESTINAL: NECROTIC GHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 7130 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 39500 mg/m3/2H LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: EXCITEMENT Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972. | |
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 isobutyraldehyde usage levels up to: | |||
| 0.1000 % 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: | 0.50000 | 1.00000 | |
| beverages(nonalcoholic): | - | 0.30000 | |
| beverages(alcoholic): | - | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.25000 | 0.50000 | |
| fruit ices: | 0.25000 | 0.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.67000 | |
| 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 |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):78-84-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6561 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2045 |
| WGK Germany:1 |
| 2-methylpropanal |
| Chemidplus:0000078842 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:78-84-2 |