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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
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    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
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  6. 6.
    Potential Uses
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    Literature & References

isobutyraldehyde

Chemical Structure

General Material Information

Preferred name isobutyraldehyde
Trivial Name Isobutyraldehyde
Short Description 2-methyl-1-propanal
Formula C4 H8 O
CAS Number 78-84-2
Deleted CAS Number 26140-46-5
FEMA Number 2220
Flavis Number 5.004
ECHA Number 201-149-6
FDA UNII C42E28168L
Nikkaji Number J1.483D
Beilstein Number 0605330
MDL MFCD00006980
COE Number 92
xLogP3-AA 0.80 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 252 isobutyraldehyde
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 78-84-2 ; ISOBUTYRALDEHYDE
Synonyms
  • 2-methylpropanal
  • 2-methyl propanal
  • 2-methyl propionaldehyde
  • 2-methyl-1-propanal
  • 2-methyl-propionaldehyde
  • 2-methylpropanal
  • 2-methylpropionaldehyde
  • a-methylpropionaldehyde
  • alpha-methyl propionaldehyde
  • iso butaldehyde
  • iso butanal
  • iso butyl aldehyde
  • iso butylaldehyde
  • iso butyral
  • iso butyraldehyde (natural)
  • iso butyraldehyde FCC
  • iso butyraldehyde natural
  • iso butyraldehyde naturel
  • iso butyraldehyde, dry
  • iso butyraldehyde, natural
  • iso butyric aldehyde
  • iso butyryl aldehyde
  • iso propyl aldehyde
  • iso propyl formaldehyde
  • methyl-1-propanal
  • methylpropanal
  • nat.iso butyraldehyde
  • propanal, 2-methyl-
  • valine aldehyde
  • Isobutanal
  • Isobutyric aldehyde
  • Isobutyryl aldehyde
  • Isopropylformaldehyde
  • iso-Butyraldehyde
  • α-Methylpropionaldehyde
  • Isobutyral
  • 2-Formylpropane
  • Dimethylacetaldehyde
  • Isopropylcarboxaldehyde
  • NSC 6739
  • 2-Propanecarboxaldehyde
  • Isobutyroaldehyde

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Literature & References

2-methylpropanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:78-84-2
Pubchem (cid):6561
Pubchem (sid):134971080
Flavornet:78-84-2
Pherobase:View
Publications by PubMed
Identification of regions associated with variation in sensitivity to food-related odors in the human genome.
A liquid chromatographic method optimization for the assessment of low and high molar mass carbonyl compounds in wines.
Enhanced nutty flavor formation in cheddar cheese made with a malty Lactococcus lactis adjunct culture.
Characterization of nutty flavor in cheddar cheese.
Relationship between intensity, concentration, and temperature for drinking water odorants.
Chemical conversion of alpha-keto acids in relation to flavor formation in fermented foods.
Sensory detection of glutaraldehyde in drinking water-emergence of sensitivity and specific anosmia.
Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching.
Identification of regions associated with variation in sensitivity to food-related odors in the human genome.
Volatile profile of cashews (Anacardium occidentale L.) from different geographical origins during roasting.
Headspace volatiles along with other instrumental and sensory analyses as indices of maturation of horse mackerel miso.
The effect of various drying techniques on apricot volatiles analysed using direct thermal desorption-GC-TOF/MS.
Enhanced nutty flavor formation in cheddar cheese made with a malty Lactococcus lactis adjunct culture.
Structural characterization of new malvidin 3-glucoside-catechin aryl/alkyl-linked pigments.
Chemical conversion of alpha-keto acids in relation to flavor formation in fermented foods.
NTP Toxicology and Carcinogenesis Studies of Isobutyraldehyde (CAS No. 78-84-2) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).
Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching.
Volatiles, color, and lipid oxidation of broiler breast fillets irradiated before and after cooking.

Other Information

(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
KEGG (GenomeNet):C03219
HMDB (The Human Metabolome Database):HMDB31243
FooDB:FDB003271
YMDB (Yeast Metabolome Database):YMDB00482
Export Tariff Code:2912.19.4000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grades or purity: dry grade: 98.0%; wet grade: 96.0%; commercial 97%.

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 72.106956481934
Specific gravity @ 25 °C
Pounds per Gallon 6.515 to 6.557
Refractive Index 1.3723 to 1.382 @ 20 °C
Acid Value 5 max KOH/g
Vapor Pressure 173 mmHg @ 25 °C
Vapor Density 2.4
Flash Point TCC Value -18.89 °C TCC
logP (o/w) 0.74
Solubility
alcohol Yes
water, 1:10 Yes
water, 3.124e+004 mg/L @ 25 °C (est) Yes
water, 8.90E+04 mg/L @ 25 °C (exp) Yes

Organoleptic Properties

Odor Type: Aldehydic
fresh, aldehydic, floral, pungent
Odor strength high , recommend smelling in a 0.10 % solution or less
Substantivity 84 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 0.10 % in dipropylene glycol. fresh aldehydic floral green
VCF-online Burnt, caramel, cocoa, floral, fresh, green, malt, nut
Flavor Type: Aldehydic
fresh, aldehydic, herbal, green, malty
Luebke, William tgsc, (1987) Fresh aldehydic herbal green malty

Occurrences

Potential Uses

Applications
Odor purposes Currant, Fruit, Tobacco
Flavoring purposes Apple, Beer, Bread white bread, Carrot, Fish, Green, Whiskey
Other purposes Clean, Fresh, Modern
Cosmetic purposes Nail conditioning, Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
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 960 mg/kg
GASTROINTESTINAL: NECROTIC GHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.

Dermal Toxicity:
skin-rabbit LD50 7130 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Inhalation Toxicity:
inhalation-mouse LC50 39500 mg/m3/2H
LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isobutyraldehyde usage levels up to:
0.1000 % in the fragrance concentrate.
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 ppmaverage maximum ppm
baked goods: 0.500001.00000
beverages(nonalcoholic): -0.30000
beverages(alcoholic): -5.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.250000.50000
fruit ices: 0.250000.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.67000
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: --

Safety references

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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
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
Carcinogenic Potency Database:Search
EPA Substance Registry Services (TSCA):78-84-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6561
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2045
WGK Germany:1
2-methylpropanal
Chemidplus:0000078842
EPA/NOAA CAMEO:hazardous materials
RTECS:78-84-2