| Preferred name | butyraldehyde |
| Trivial Name | Butanal |
| Short Description | N-butanal |
| Formula | C4 H8 O |
| CAS Number | 123-72-8 |
| FEMA Number | 2219 |
| Flavis Number | 5.003 |
| ECHA Number | 204-646-6 |
| FDA UNII | H21352682A |
| Nikkaji Number | J2.501A |
| Beilstein Number | 0506061 |
| MDL | MFCD00007023 |
| COE Number | 91 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 86 butyraldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-72-8 ; BUTYRALDEHYDE |
| Synonyms |
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| 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 |
| butanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-72-8 |
| Pubchem (cid): | 261 |
| Pubchem (sid): | 134974740 |
| Flavornet: | 123-72-8 |
| Pherobase: | View |
| (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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C01412 |
| HMDB (The Human Metabolome Database): | HMDB03543 |
| FooDB: | FDB003378 |
| Export Tariff Code: | 2912.19.2500 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical (93% minimum). •98% liquid grade ... •available commercially as a 55% aqueous solution | |
| Material listed in food chemical codex | Yes |
| Molecular weight | 72.106956481934 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.657 to 6.948 |
| Refractive Index | 1.36 to 1.395 @ 20 °C |
| Boiling Point | 74 to 75°C @ 760 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 88.5 mmHg @ 20 °C |
| Vapor Density | 2.5 |
| Flash Point TCC Value | -11.11 °C TCC |
| logP (o/w) | 0.88 |
| Shelf life | 6 months (or longer if stored properly.) |
| Storage notes | Store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 1 part to 27 parts water | Yes |
| water, 2.385e+004 mg/L @ 25 °C (est) | Yes |
| water, 7.10E+04 mg/L @ 25 °C (exp) | Yes |
| Odor Type: Chocolate | |
| pungent, cocoa, musty, green, malty, bready | |
| Luebke, William tgsc, (1987) | At 1.00 % in dipropylene glycol. pungent cocoa musty green malty bready |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 1.00 %. Pungent, diffusive, cocoa, choking, musty, green, malty |
| Flavor Type: Cocoa | |
| cocoa, green, grain, fermented | |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 10.00 ppm. Cocoa, green, grainy, fermented |
| (data available) |
| Applications | |
| Odor purposes | Cajeput , Civet , Clary sage oil replacer , Eucalyptus oil replacer |
| Flavoring purposes | Apple , Bread white bread , Cajeput , Carrot , Cereal , Chocolate cocoa , Cream , Malt , Pea green pea , Pumpkin , Strawberry , Tomato |
| Cosmetic purposes | Perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 07/09 - Keep container tightly closed and in well-ventilated place. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. 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 2490 mg/kg National Technical Information Service. Vol. OTS0516688 intraperitoneal-rat LD50 800 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979. intraperitoneal-mouse LD50 1140 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3560 ul/kg Union Carbide Data Sheet. Vol. 7/20/1965 subcutaneous-rat LD50 10000 mg/kg BEHAVIORAL: GENERAL ANESTHETIC Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950. subcutaneous-mouse LD50 2700 mg/kg BEHAVIORAL: GENERAL ANESTHETIC KIDNEY, URETER, AND BLADDER: HEMATURIA Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950. | |
| Inhalation Toxicity: | |
| inhalation-mouse LC50 44610 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. inhalation-mammal (species unspecified) LC50 38000 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. inhalation-rat TCLo 8000 ppm/4H National Technical Information Service. Vol. OTS0516688 | |
| Category: | |||
| flavoring agents and cosmetic fragrance agents | |||
| Recommendation for butyraldehyde usage levels up to: | |||
| not for fragrance use. | |||
| 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): | - | 0.71000 | |
| beverages(alcoholic): | - | 0.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.25000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.80000 | |
| fruit ices: | - | 4.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.90000 | |
| 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: | - | - | |
| 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 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):123-72-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :261 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1129 |
| WGK Germany:1 |
| butanal |
| Chemidplus:0000123728 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:123-72-8 |