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butyl isobutyrate

Chemical Structure

General Material Information

Preferred name butyl isobutyrate
Trivial Name Butyl isobutyrate
Short Description isobutyric acid, butyl ester
Formula C8 H16 O2
CAS Number 97-87-0
FEMA Number 2188
Flavis Number 9.416
ECHA Number 202-614-6
FDA UNII PW9UJ5C0F3
Nikkaji Number J361A
MDL MFCD00048773
COE Number 291
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 188 butyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 97-87-0 ; BUTYL ISOBUTYRATE
Synonyms
  • butyl 2-methyl propanoate
  • butyl 2-methylpropanoate
  • butyl iso butyrate
  • butyl isobutanoate
  • N- butyl isobutyrate
  • nat. butyl isobutyrate
  • butyl isobutyrate (natural)
  • N- butyl isobutyrate FCC
  • butyl isobutyrate natural
  • N- butyl isobutyrate natural
  • butyl-iso-butyrate FCC
  • butyle isobutyrate
  • butylisobutyrate
  • iso butyric acid butyl ester
  • iso butyric acid, butyl ester
  • 2-methyl propanoic acid butyl ester
  • 2-methylpropanoic acid butyl ester
  • propanoic acid, 2-methyl-, butyl ester
  • Isobutyric acid, butyl ester
  • n-Butyl isobutyrate
  • 1-Butyl 2-methylpropionate
  • 1-Butyl isobutyrate
  • Butyl 2-methylpropionate
  • Butyl 2-methyl-1-propanoate

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

Google Scholar Start search
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Perfumer & Flavorists Start search
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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
HMDB (The Human Metabolome Database):HMDB40251
FooDB:FDB019968
YMDB (Yeast Metabolome Database):YMDB01328
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 Yes
Molecular weight 144.21391296387
Specific gravity @ 20 °C
Pounds per Gallon 7.181 to 7.206
Refractive Index 1.401 to 1.404 @ 20 °C
Boiling Point 156 to 158°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 2.906 mmHg @ 25 °C
Vapor Density 4.9
Flash Point TCC Value 45.56 °C TCC
logP (o/w) 2.667 est
Solubility
alcohol Yes
fixed oils Yes
water, 356.7 mg/L @ 25 °C (est) Yes
water No
glycerin No
propylene glycol No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, green, tropical, apple, banana, tutti frutti, melon, citrus, cheesy
Luebke, William tgsc, (1987) At 100.00 %. sweet fruity green tropical apple banana
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 2.00 %. Sweet, tuti frutti, green, melon, banana, citrus with a alight cheesey nuance
Flavor Type: Fruity
sweet, fruity, apple, strawberry, banana, tutti frutti, winey, cheesy bleu cheese
Mosciano, Gerard P&F 23, No. 5, 49, (1998) At 10.00 ppm. Sweet, fruity, apple, strawberry, banana, tutti frutti with a winey, blue cheesey nuance

Occurrences

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 - Wear suitable protective clothing.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Levenstein, 1974a)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 731, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 731, 1975.

Inhalation Toxicity:
Not determined

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 butyl isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.30 (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: -39.00000
beverages(nonalcoholic): -8.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -2000.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000005.00000
fruit ices: 4.000005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -19.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7353
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
butyl 2-methylpropanoate
Chemidplus:0000097870
RTECS:UA2466945 for cas# 97-87-0