isobutyl amine

isobutylamine

CAS: 78-81-9 C4 H11 N MW: 73.13867000 fishy

Identification

Nameisobutyl amine
IUPAC2-methylpropan-1-amine
CAS Number78-81-9
EINECS201-145-4
FDA UNII1H60H4LOHZ
Molecular FormulaC4 H11 N
Molecular Weight73.13867000
MDL NumberMFCD00008146
Nikkaji NumberJ46.573I
Beilstein0385626
CoE Number513
XlogP30.70 (est)

Regulatory

JECFA Food Flavoring1583 isobutylamine
DG SANTE Food Flavourings11.002 isobutylamine
FEMA Number4239
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)78-81-9 ; ISOBUTYLAMINE

Physical Properties

Appearance colorless to yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.73100 to 0.73700 @ 25.00 °C.
Pounds per Gallon - (est). 6.083 to 6.133
Refractive Index 1.39100 to 1.39700 @ 20.00 °C.
Melting Point -85.00 °C. @ 760.00 mm Hg
Boiling Point 67.00 to 71.00 °C. @ 760.00 mm Hg
Vapor Pressure 138.000000 mmHg @ 25.00 °C.
Flash Point 16.00 °F. TCC ( -8.89 °C. )
logP (o/w) 0.730
Soluble in propylene glycol

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 224 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for isobutyl amine usage levels up tonot 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 Concern1800 (μg/person/day)
Structure ClassI
baked goods2.00000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal0.20000
cheese0.40000
chewing gum-
condiments / relishes0.10000
confectionery froastings1.00000
egg products-
fats / oils0.10000
fish products0.20000
frozen dairy0.40000
fruit ices0.40000
gelatins / puddings-
granulated sugar-
gravies0.10000
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.20000
milk products0.40000
nut products-
other grains0.20000
poultry0.20000
processed fruits0.40000
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.10000
snack foods1.00000
soft candy-
soups0.10000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.40000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)1.00000
Edible ices, including sherbet and sorbet (03.0)0.40000
Processed fruit (04.1)0.40000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.20000
Bakery wares (07.0)2.00000
Meat and meat products, including poultry and game (08.0)0.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.20000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.20000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)1.00000
Ready-to-eat savouries (15.0)1.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.20000

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Potential Uses

FL cereal FL cheese FL dairy FL fish FR fruit FL meat

Natural Occurrence

banana fruit elder black elder flower grape fruit juice hydrosme rivieri

Synonyms

1- amino-2-methyl propane 1- amino-2-methylpropane monoiso butyl amine iso butylamine 2- methyl propanamine 2- methyl propyl amine 2- methyl-1-aminopropane 2- methyl-1-propanamine 2- methyl-1-propylamine 3- methyl-2-propyl amine 2- methylpropan-1-amine 2- methylpropanamine 2- methylpropylamine 1- propanamine, 2-methyl- iso propylmethylamine valamine Info: aliphatic and aromatic amines and amides US Patents: 8,075,937 - Alkyldienamides exhibiting taste and sensory effect in flavor compositions PubMed: Amines from vertebrates guide triatomine bugs to resources. PubMed: Evidence for early intracellular accumulation of volatile compounds during spadix development in Arum italicum L. and preliminary data on some tropical Aroids. PubMed: Inhibition of Enterococcus faecalis biofilm formation by highly active lactones and lactams analogues of rubrolides. PubMed: Chromatographic resolution of closely related species: drug metabolites and analogs. PubMed: Chromatographic resolution of closely related species in pharmaceutical chemistry: dehalogenation impurities and mixtures of halogen isomers. PubMed: Identification of biomarkers of stent restenosis with serum metabolomic profiling using gas chromatography/mass spectrometry. PubMed: Metabolic profiling of the protozoan parasite Entamoeba invadens revealed activation of unpredicted pathway during encystation. PubMed: Controlled synergistic delivery of paclitaxel and heat from poly(β-amino ester)/iron oxide-based hydrogel nanocomposites. PubMed: Analysis of volatile bases by high performance liquid chromatography with aerosol-based detection. PubMed: Transferable force field for equilibrium and transport properties in linear, branched, and bifunctional amines I. Primary amines. PubMed: Assessment of the genetic polymorphism and biogenic amine production of indigenous Oenococcus oeni strains isolated from Greek red wines. PubMed: Gas chromatography-mass spectrometry assessment of amines in Port wine and grape juice after fast chloroformate extraction/derivatization. PubMed: Automated on-fiber derivatization with headspace SPME-GC-MS-MS for the determination of primary amines in sewage sludge using pressurized hot water extraction. PubMed: Isopropylamino and isobutylamino groups as recognition sites for carbohydrates: acyclic receptors with enhanced binding affinity toward β-galactosides. PubMed: Pressurised hot water extraction followed by simultaneous derivatization and headspace solid-phase microextraction and gas chromatography-tandem mass spectrometry for the determination of aliphatic primary amines in sewage sludge. PubMed: Nakijiquinones J--R, sesquiterpenoid quinones with an amine residue from okinawan marine sponges. PubMed: Novel catalytic activity of nitrile hydratase from Rhodococcus sp. N771. PubMed: Investigations of valanimycin biosynthesis: elucidation of the role of seryl-tRNA. PubMed: Ultrastructure and receptor cell responses of the antennal grooved peg sensilla of Triatoma infestans (Hemiptera: Reduviidae). PubMed: Manipulating the self-assembling process to obtain control over the morphologies of copper oxide in hydrothermal synthesis and creating pores in the oxide architecture. PubMed: Photoion photoelectron coincidence spectroscopy of primary amines RCH2NH2 (R = H, CH3, C2H5, C3H7, i-C3H7): alkylamine and alkyl radical heats of formation by isodesmic reaction networks. PubMed: Preparation of convection interaction media isobutyl disc monolithic column and its application to purification of secondary alcohol dehydrogenase and alcohol oxidase. PubMed: Caffeic acid derivatives production by hairy root cultures of Echinacea purpurea. PubMed: Zeolite synthesis using degradable structure-directing agents and pore-filling agents. PubMed: Impact of growth kinetics on morphology and pore structure of TiO2-one-pot synthesis of macroporous TiO2 microspheres. PubMed: Distribution of amines in water/AOT/n-hexane reverse micelles: influence of the amine chemical structure. PubMed: Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns. PubMed: Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines. PubMed: Effects of piperine analogues on stimulation of melanocyte proliferation and melanocyte differentiation. PubMed: Effects of monoamines formed in the cecum of horses on equine digital blood vessels and platelets. PubMed: Changes in amine concentrations during aging of red wine in oak barrels. PubMed: Uptake of 5-hydroxytryptamine by equine digital vein endothelial cells: inhibition by amines found in the equine caecum. PubMed: Synthesis and structures of gallium amido imido phenyl clusters (PhGa)(4)(NH(i)Bu)(4)(N(i)Bu)(2) and (PhGa)(7)(NHMe)(4)(NMe)(5). PubMed: Molecular characterization and analysis of the biosynthetic gene cluster for the azoxy antibiotic valanimycin. PubMed: Application of a surface plasmon resonance sensor to analyses of amine compounds with the use of a polymer film and an acid-base reaction. PubMed: Larvicidal activity of isobutylamides identified in Piper nigrum fruits against three mosquito species. PubMed: Myotropic effects of new proctolin analogues modified in the position 5 of peptide chain in insects. PubMed: Essential contribution of germline-encoded lysine residues in Jgamma1.2 segment to the recognition of nonpeptide antigens by human gammadelta T cells. PubMed: Human V gamma 2V delta 2 T cells produce IFN-gamma and TNF-alpha with an on/off/on cycling pattern in response to live bacterial products. PubMed: Analysis of bacterial vaginosis-related amines in vaginal fluid by gas chromatography and mass spectrometry. PubMed: Convenient synthesis of 4,6-di-O-benzyl-myo-inositol and myo-inositol 1,3,5-orthoesters. PubMed: Simultaneous derivatization and trapping of volatile products from aqueous photolysis of thiamethoxam insecticide. PubMed: The development of a semi-preparatory scale supercritical-fluid chromatograph for high-throughput purification of 'combi-chem' libraries. PubMed: Homologation of mexiletine alkyl chain and stereoselective blockade of skeletal muscle sodium channels. PubMed: An NADPH:FAD oxidoreductase from the valanimycin producer, Streptomyces viridifaciens. Cloning, analysis, and overexpression. PubMed: Purification and characterization of isobutylamine N-hydroxylase from the valanimycin producer Streptomyces viridifaciens MG456-hF10. PubMed: Cloning, analysis, and overexpression of the gene encoding isobutylamine N-hydroxylase from the valanimycin producer, Streptomyces viridifaciens. PubMed: Thermometric titrations of amines with nitrosyl perchlorate in acetonitrile solvent. PubMed: Nitrosatable amines and nitrosamide formation in natural stimulants: Cola acuminata, C. nitida and Garcinia cola. PubMed: Precursors of N-nitroso compounds in some Nigerian medicinal plants. PubMed: The determination of amines in the vaginal secretions of women in health and disease. PubMed: Analysis of puberty-accelerating pheromones. PubMed: Determination of low molecular weight aliphatic primary amines in urine as their benzenesulphonyl derivatives by gas chromatography with flame photometric detection. PubMed: Evidence for a role of volatile amines in the development of neonatal hypergastrinemia. PubMed: Identification of puberty-accelerating pheromones in male mouse urine. PubMed: Semicarbazide-sensitive amine oxidase (SSAO) of the rat aorta. Interactions with some naturally occurring amines and their structural analogues. PubMed: [Synthesis of N-2-methylpropyl-N-1'-methylacetonylnitrosamine and its physical properties]. PubMed: The catecholamine binding site of the beta-adrenergic receptor is formed by juxtaposed membrane-spanning domains. PubMed: Photoaffinity labeling of the beta-adrenergic receptor in synaptic membranes of rat cerebral cortex and cerebellum. PubMed: [Biosynthesis of nitrosopiperidine from isobutylamine and NaNo2 by some fungi]. PubMed: Photoaffinity labeling in the study of lymphoid cell beta-adrenergic receptors. PubMed: Identification of a novel Mr = 76-kDa form of beta-adrenergic receptors. PubMed: Oxidation of amines by yeasts grown on 1-aminoalkanes or putrescine as the sole source of carbon, nitrogen and energy. PubMed: Gas chromatographic-mass spectrometric analysis of volatile amines produced by several strains of Clostridium. PubMed: Abundance of dimethylamine in seafoods: possible implications in the incidence of human cancer. PubMed: N-nitrosamine formation by intestinal bacteria. PubMed: Gas chromatographic analysis of bacterial amines as their free bases. PubMed: Photoaffinity labeling of the beta-adrenergic receptor from cultured lymphoma cells with [125I]iodoazidobenzylpindolol: loss of the label with desensitization. PubMed: Kinetic study on disappearance of gamma-butyrolactone-gamma-carbonyl-L-histidyl-L-prolinamide (DN-1417) from plasma using a radioimmunoassay for DN-1417 isobutylamide. PubMed: Effect of dithiothreitol on the beta-adrenergic receptor of S49 wild type and cyc- lymphoma cells: decreased affinity of the ligand-receptor interaction. PubMed: Photoaffinity labeling of beta-adrenergic receptors: identification of the beta-receptor binding site(s) from turkey, pigeon, and frog erythrocyte. PubMed: Synthesis and characterization of iodoazidobenzylpindolol. PubMed: Radioimmunoassay for an analog of thyrotrophin-releasing hormone, gamma-butyrolactone-gamma-carbonyl-L-histidyl-L-prolinamide (DN-1417). PubMed: Comparative carcinogenesis by some aliphatic nitrosamines in Fischer rats. PubMed: Iodoazidobenzylpindolol, a photoaffinity probe for the beta-adrenergic receptor. PubMed: Amine content of vaginal fluid from untreated and treated patients with nonspecific vaginitis. PubMed: Analysis of amines and other bacterial products by head-space gas chromatography. PubMed: [The occurence and distribution of volatile amines in marine algae].