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 |
|
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 |