EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobutyl amine
isobutylamine

Supplier Sponsors

Name:2-methylpropan-1-amine
CAS Number: 78-81-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-145-4
FDA UNII:1H60H4LOHZ
Nikkaji Web:J46.573I
Beilstein Number:0385626
MDL:MFCD00008146
CoE Number:513
XlogP3:0.70 (est)
Molecular Weight:73.13867000
Formula:C4 H11 N
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1583 isobutylamine
FLAVIS Number:11.002 (Old)
DG SANTE Food Flavourings:11.002 isobutylamine
FEMA Number:4239 isobutylamine
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
 water, 1.00E+06 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Type: fishy
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
fishy cheesy
Odor Description:at 0.10 % in propylene glycol. fishy cheesy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
isoButylamine
Penta International
ISOBUTYLAMINE
Santa Cruz Biotechnology
For experimental / research use only.
isobutylamine
Sigma-Aldrich
For experimental / research use only.
isoButylamine analytical standard
Taminco (Eastman)
isoButylamine
TCI AMERICA
For experimental / research use only.
isobutylamine >98.0%(GC)
 
Safety Information:
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
 
Safety in Use Information:
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
 average usual ppmaverage maximum ppm
baked goods: 2.0000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.400002.00000
chewing gum: --
condiments / relishes: 0.100000.50000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: 0.100000.50000
fish products: 0.200001.00000
frozen dairy: 0.400002.00000
fruit ices: 0.400002.00000
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.200001.00000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.200001.00000
processed fruits: 0.400002.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 1.000005.00000
soft candy: --
soups: 0.100000.50000
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.000005.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
Safety References:
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
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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
 
References:
 2-methylpropan-1-amine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:78-81-9
Pubchem (cid):6558
Pubchem (sid):134971077
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
valamine
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
fatty
hexanoic acid
FL/FR
octanoic acid
FL/FR
fishy
1-
amino-2-propanol
CS
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
green
(E)-2-
hexenal
FL/FR
nutty
nutty quinoxaline
FL/FR
sulfurous
fish thiol
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-1-pyrroline
FL
amyl amine
FL
butyl amine
FL
(±)-sec-
butyl amine
FL
ethyl amine
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hexenoic acid
FL
hexyl amine
FL
2-
methyl butyl amine
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
iso
pentylidene isopentyl amine
FL
phenethyl amine
FL
prenyl hexanoate
FL/FR
propionyl pyrroline 1% in vegatable oil triglyceride
FL
iso
propyl amine
FL
(R)-N,N,alpha-
trimethyl benzyl amine
FL
tripropyl amine
FL
acidic
acidic
iso
butyric acid
FL/FR
ammoniacal
2-
methyl piperidine
FL
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
hexanoic acid
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
fatty
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fishy
4,5-
dimethyl thiazole
FL
3-
penten-2-one
FL
trimethyl amine
FL
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
sorbyl butyrate
FL/FR
green
(E)-2-
hexenal
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
fish thiol
FL/FR
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FLcereal
FLcheese
FLdairy
FLfish
FRfruit
FLmeat
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 elder black elder flower
Search Trop Picture
 grape fruit juice
Search Trop Picture
 hydrosme rivieri
Search Trop Picture
 
Synonyms:
1-amino-2-methyl propane
1-amino-2-methylpropane
monoisobutyl amine
isobutylamine
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-
isopropylmethylamine
 valamine
 

Articles:

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].
 
Notes:
Found in various foodstuffs
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