Preferred name | isobutyl amine |
Trivial Name | Isobutylamine |
Short Description | isobutylamine |
Formula | C4 H11 N |
CAS Number | 78-81-9 |
FEMA Number | 4239 |
Flavis Number | 11.002 |
ECHA Number | 201-145-4 |
FDA UNII | 1H60H4LOHZ |
Nikkaji Number | J46.573I |
Beilstein Number | 0385626 |
MDL | MFCD00008146 |
COE Number | 513 |
NMR Predictor | External link |
JECFA Food Flavoring | 1583 isobutylamine |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 78-81-9 ; ISOBUTYLAMINE |
Synonyms |
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Perfumer & Flavorists | Start search |
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NCBI | Start search |
2-methylpropan-1-amine | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 78-81-9 |
Pubchem (cid): | 6558 |
Pubchem (sid): | 134971077 |
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 |
CHEBI: | View |
CHEMBL: | View |
UM BBD: | Search |
KEGG (GenomeNet): | C02787 |
HMDB (The Human Metabolome Database): | HMDB34198 |
FooDB: | FDB012495 |
Export Tariff Code: | 2921.19.1000 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Formulations/Preparations: valamine |
EMD Millipore | Penta International |
Santa Cruz Biotechnology | Sigma-Aldrich |
Taminco (Eastman) | TCI AMERICA |
Penta International Corporation |
Material listed in food chemical codex | No |
Molecular weight | 73.138671875 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 6.083 to 6.133 |
Refractive Index | 1.391 to 1.397 @ 20 °C |
Boiling Point | 67 to 71°C @ 760 mm Hg |
Vapor Pressure | 138 mmHg @ 25 °C |
Flash Point TCC Value | -8.89 °C TCC |
logP (o/w) | 0.73 |
Solubility | |
propylene glycol | Yes |
water, 1.00E+06 mg/L @ 25 °C (exp) | Yes |
Odor Type: Fishy | |
fishy, cheesy | |
General comment | At 0.10 % in propylene glycol. fishy cheesy |
(data available) |
Applications | |
Odor purposes | Fruit |
Flavoring purposes | Cereal, Cheese, Dairy, Fish, Meat |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xn - Harmful. | |
R 11 - Highly flammable. R 22 - Harmful if swallowed. R 35 - Causes severe burns. S 02 - Keep out of the reach of children. 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. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
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 224 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: ATAXIA Toxicology and Applied Pharmacology. Vol. 63, Pg. 150, 1982. | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
flavoring agents | |||
Recommendation for isobutyl amine usage levels up to: | |||
not for fragrance use. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.09 (μg/capita/day) | ||
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 340 (μg/person/day) | ||
Threshold of Concern: | 1800 (μg/person/day) | ||
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: 22 | |||
Click here to view publication 22 | |||
average usual ppm | average maximum ppm | ||
baked goods: | 2.00000 | 10.00000 | |
beverages(nonalcoholic): | - | - | |
beverages(alcoholic): | - | - | |
breakfast cereal: | 0.20000 | 1.00000 | |
cheese: | 0.40000 | 2.00000 | |
chewing gum: | - | - | |
condiments / relishes: | 0.10000 | 0.50000 | |
confectionery froastings: | 1.00000 | 5.00000 | |
egg products: | - | - | |
fats / oils: | 0.10000 | 0.50000 | |
fish products: | 0.20000 | 1.00000 | |
frozen dairy: | 0.40000 | 2.00000 | |
fruit ices: | 0.40000 | 2.00000 | |
gelatins / puddings: | - | - | |
granulated sugar: | - | - | |
gravies: | 0.10000 | 0.50000 | |
hard candy: | - | - | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | 0.20000 | 1.00000 | |
milk products: | 0.40000 | 2.00000 | |
nut products: | - | - | |
other grains: | 0.20000 | 1.00000 | |
poultry: | 0.20000 | 1.00000 | |
processed fruits: | 0.40000 | 2.00000 | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | 0.10000 | 0.50000 | |
snack foods: | 1.00000 | 5.00000 | |
soft candy: | - | - | |
soups: | 0.10000 | 0.50000 | |
sugar substitutes: | - | - | |
sweet sauces: | - | - | |
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
average usage mg/kg | maximum usage mg/kg | ||
Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 1.00000 | 5.00000 | |
Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
Processed fruit (04.1): | 0.40000 | 2.00000 | |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
Confectionery (05.0): | 1.00000 | 5.00000 | |
Chewing gum (05.3): | - | - | |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
Bakery wares (07.0): | 2.00000 | 10.00000 | |
Meat and meat products, including poultry and game (08.0): | 0.20000 | 1.00000 | |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.20000 | 1.00000 | |
Eggs and egg products (10.0): | - | - | |
Sweeteners, including honey (11.0): | - | - | |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 |
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting) 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 Substance Registry Services (TSCA):78-81-9 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :6558 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 1214 |
WGK Germany:1 |
2-methylpropan-1-amine |
Chemidplus:0000078819 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:78-81-9 |