isobutyl amine
isobutylamine
Identification
| Name | isobutyl amine |
| IUPAC | 2-methylpropan-1-amine |
| CAS Number | 78-81-9 |
| EINECS | 201-145-4 |
| FDA UNII | 1H60H4LOHZ |
| Molecular Formula | C4 H11 N |
| Molecular Weight | 73.13867000 |
| MDL Number | MFCD00008146 |
| Nikkaji Number | J46.573I |
| Beilstein | 0385626 |
| CoE Number | 513 |
| XlogP3 | 0.70 (est) |
Regulatory
| JECFA Food Flavoring | 1583 isobutylamine |
| DG SANTE Food Flavourings | 11.002 isobutylamine |
| FEMA Number | 4239 |
| FDA | No 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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 224 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| baked goods | 2.00000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | 0.20000 |
| cheese | 0.40000 |
| chewing gum | - |
| condiments / relishes | 0.10000 |
| confectionery froastings | 1.00000 |
| egg products | - |
| fats / oils | 0.10000 |
| fish products | 0.20000 |
| frozen dairy | 0.40000 |
| fruit ices | 0.40000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.20000 |
| milk products | 0.40000 |
| nut products | - |
| other grains | 0.20000 |
| poultry | 0.20000 |
| processed fruits | 0.40000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.10000 |
| snack foods | 1.00000 |
| soft candy | - |
| soups | 0.10000 |
| 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 |
Penta International Corporation
Chemistry innovation
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Potential Uses
Natural Occurrence
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].