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isopropyl butyrate

Chemical Structure

General Material Information

Preferred name isopropyl butyrate
Trivial Name Isopropyl butanoate
Short Description butyric acid isopropyl ester
Formula C7 H14 O2
CAS Number 638-11-9
FEMA Number 2935
Flavis Number 9.041
ECHA Number 211-320-7
FDA UNII 7P33GFV8SS
Nikkaji Number J47.188G
MDL MFCD00009390
COE Number 267
xLogP3-AA 1.70 (est)
NMR Predictor External link
JECFA Food Flavoring 307 isopropyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 638-11-9 ; ISOPROPYL BUTYRATE
Synonyms
  • butanoic acid 1-methyl ethyl ester
  • butanoic acid 1-methylethyl ester
  • butyric acid isopropyl ester
  • 1-methyl ethyl butanoate
  • 1-methylethyl butanoate
  • propan-2-yl butanoate
  • iso propyl butanoate
  • iso- propyl-butyrate
  • Butanoic acid, 1-methylethyl ester
  • Butyric acid, isopropyl ester
  • Isopropyl butanoate
  • 1-Methylethyl butanoate
  • Isopropyl n-butyrate
  • Butanoic acid isopropyl ester
  • 2-Propyl butanoate
  • Butanoic acid 2-propyl ester

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

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Perfumer & Flavorists Start search
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Literature & References

propan-2-yl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:638-11-9
Pubchem (cid):61184
Pubchem (sid):135018448
Flavornet:638-11-9
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

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):HMDB39619
FooDB:FDB019247
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 20 °C
Pounds per Gallon 7.164 to 7.181
Refractive Index 1.393 to 1.395 @ 20 °C
Boiling Point 130 to 131°C @ 760 mm Hg
Vapor Pressure 9.684 mmHg @ 25 °C
Vapor Density 4.4
Flash Point TCC Value 30 °C TCC
logP (o/w) 2.158 est
Solubility
alcohol Yes
water, very slightly Yes
water, 1070 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, estery, ethereal, pineapple, ripe
General comment At 100.00 %. sweet fruity estery ether pineapple ripe
Mosciano, Gerard P&F 19, No. 3, 51, (1994) Sweet, fruity, estry, etherial, pineapple and ripe with an intense lift
Flavor Type: Fruity
sweet, fruity, estery, green, ripe
Mosciano, Gerard P&F 19, No. 3, 51, (1994) At 30.00 ppm. Sweet, fruity, estry, green and ripe
General comment Sweet fruity ester green ripe

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Blackberry, Cherry, Cranberry, Ginger, Grape, Hop, Huckleberry, Mango, Melon, Peach, Pineapple, Plum, Strawberry, Tangerine, Valerian, Wine
Flavoring purposes Valerian
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 16 - Keep away from sources of ignition - No Smoking.
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 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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
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 isopropyl butyrate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.00 (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: -39.00000
beverages(nonalcoholic): -9.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -21.00000
fruit ices: -21.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -39.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
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 :61184
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2405
WGK Germany:3
propan-2-yl butanoate
Chemidplus:0000638119
EPA/NOAA CAMEO:hazardous materials