We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

isobutyl isobutyrate

Chemical Structure

General Material Information

Preferred name isobutyl isobutyrate
Trivial Name Isobutyl isobutyrate
Short Description isobutyric acid, isobutyl ester
Formula C8 H16 O2
CAS Number 97-85-8
FEMA Number 2189
Flavis Number 9.417
ECHA Number 202-612-5
FDA UNII Y495J99R5D
Nikkaji Number J3.223I
Beilstein Number 1701355
MDL MFCD00008916
COE Number 292
xLogP3-AA 2.50 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 194 isobutyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 97-85-8 ; ISOBUTYL ISOBUTYRATE
Synonyms
  • iso butyl 2-methyl propanoate
  • iso butyl 2-methylpropanoate
  • iso butyl iso butyrate
  • iso butyl isobutanoate
  • nat.iso butyl isobutyrate
  • iso butyl isobutyrate 99%, (naturals)
  • iso butyl isobutyrate natural
  • iso butyl isobutyrate, natural
  • iso- butyl-iso-butyrate
  • iso butylisobutyrate
  • iso butyric acid isobutyl ester
  • iso butyric acid, isobutyl ester
  • IBIB
  • 2-methyl 2-methyl propanoate
  • 2-methyl propanoic acid 2-methyl propyl ester
  • 2-methyl propyl 2-methyl propanoate
  • 2-methyl propyl 2-methyl propionate
  • 2-methyl propyl isobutyrate
  • 2-methyl-1-propyl 2-methyl propanoate
  • 2-methyl-1-propyl 2-methylpropanoate
  • 2-methyl-propyl 2-methyl-propanoate
  • 2-methylpropanoic acid 2-methylpropyl ester
  • 2-methylpropyl 2-methylpropanoate
  • 2-methylpropyl 2-methylpropionate
  • 2-methylpropyl isobutyrate
  • propanoic acid, 2-methyl-, 2-methylpropyl ester
  • 2-methylpropyl 2-methylpropanoate
  • Isobutyric acid, isobutyl ester
  • 2-Methylpropyl isobutyrate
  • 2-Methylpropyl 2-methylpropionate
  • 2-Methylpropionic acid isobutyl ester
  • Isobutyl isobutanoate
  • NSC 6538

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40252
FooDB:FDB019969
Export Tariff Code:2915.60.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 25 °C
Pounds per Gallon 7.031 to 7.198
Refractive Index 1.372 to 1.417 @ 20 °C
Melting Point -81 to -80°C @ 760 mm Hg
Boiling Point 68 to 69°C @ 50 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 4.33 mmHg @ 25 °C
Vapor Density 4.9
Flash Point TCC Value 37.22 °C TCC
logP (o/w) 2.511 est
Solubility
alcohol Yes
water, 1000 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
ethereal, fruity, fruit tropical fruit, pineapple, grape skin, banana
General comment At 100.00 %. ethereal fruity tropical fruit pineapple grape skin banana
Flavor Type: Fruity
pineapple, fruity, fruit tropical fruit, fruit ripe fruit
General comment Fruity pineapple tropical fruit ripe fruit

Occurrences

Potential Uses

Applications
Odor purposes Banana, Grape, Hop, Pineapple, Saffron, Wine
Flavoring purposes Arrack, Brandy, Fruit tropical fruit, Whiskey
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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.
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 12800 mg/kg
(Patty, 1982)

oral-mouse LDLo 12800 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 337, 1978.

oral-rat LD50 12800 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 13, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 8600 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 13, 1974.

Inhalation Toxicity:
inhalation-rat LC50 5000 ppm/6H
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 13, 1974.

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 isobutyl isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 56.00 (μg/capita/day)
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: -17.00000
beverages(nonalcoholic): -7.50000
beverages(alcoholic): -2.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -7.40000
fruit ices: -7.40000
gelatins / puddings: 3.3000010.00000
granulated sugar: --
gravies: --
hard candy: -16.00000
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 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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the 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 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):97-85-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7351
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2528
WGK Germany:2
2-methylpropyl 2-methylpropanoate
Chemidplus:0000097858
EPA/NOAA CAMEO:hazardous materials
RTECS:NQ5250000 for cas# 97-85-8