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isopropyl isobutyrate
isobutyric acid, isopropyl ester

Sponsors

Name:propan-2-yl 2-methylpropanoate
CAS Number: 617-50-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-517-5
FDA UNII:IB2671N3UT
Nikkaji Web:J45.635G
MDL:MFCD00059365
CoE Number:290
XlogP3-AA:2.00 (est)
Molecular Weight:130.18698000
Formula:C7 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:309 isopropyl isobutyrate
FLAVIS Number:09.415 (Old)
DG SANTE Food Flavourings:09.415 isopropyl isobutyrate
FEMA Number:2937 isopropyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ISOPROPYL ISOBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84800 to 0.85100 @ 20.00 °C.
Pounds per Gallon - (est).: 7.064 to 7.089
Refractive Index:1.38700 to 1.38900 @ 20.00 °C.
Boiling Point: 120.00 to 121.00 °C. @ 760.00 mm Hg
Boiling Point: 47.00 to 48.00 °C. @ 50.00 mm Hg
Vapor Pressure:13.966000 mm/Hg @ 25.00 °C. (est)
Flash Point: 62.00 °F. TCC ( 16.67 °C. )
logP (o/w): 2.002 (est)
Soluble in:
 alcohol
 water, 1236 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
pineapple sweet fruity citrus pear
Odor Description:at 100.00 %. pineapple sweet fruity citrus pear
Odor and/or flavor descriptions from others (if found).
Ernesto Ventós
IsoPROPYL ISOBUTYRATE
Odor Description:INTENSE, FRUITY, ETHER-LIKE
 
Cosmetic Information:
None found
 
Suppliers:
Ernesto Ventós
IsoPROPYL ISOBUTYRATE
Odor: INTENSE, FRUITY, ETHER-LIKE
Grau Aromatics
iso-PROPYL-iso-BUTYRATE
NI, Kosher
Inoue Perfumery
isoPROPYL ISOBUTYRATE
Penta International
ISOPROPYL ISOBUTYRATE, Kosher
SRS Aromatics
isoPROPYL ISO BUTYRATE
Synerzine
isoPropyl Isobutyrate
TCI AMERICA
For experimental / research use only.
isoPropyl Isobutyrate >98.0%(GC)
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 38 - Irritating to 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 33 - Take precautionary measures against static discharge.
S 37/39 - Wear suitable 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropyl isobutyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (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
 average usual ppmaverage maximum ppm
baked goods: 60.00000100.00000
beverages(nonalcoholic): 12.0000025.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 18.0000025.00000
fruit ices: 18.0000025.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 58.00000100.00000
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

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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12044
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2406
WGK Germany:3
propan-2-yl 2-methylpropanoate
Chemidplus:0000617505
EPA/NOAA CAMEO:hazardous materials
 
References:
 propan-2-yl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:617-50-5
Pubchem (cid):12044
Pubchem (sid):134978071
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB38227
FooDB:FDB017472
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(Z)-8-
tetradecenal
FL/FR
animal
animal
methyl (E)-2-octenoate
FL/FR
balsamic
nopol
FL/FR
cheesy
heptanoic acid
FL/FR
chemical
iso
butyl formate
FL/FR
propyl propionate
FL/FR
citrus
2-
dodecanone
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
methyl ethyl ketone
FL/FR
2-
methyl valeraldehyde
FL/FR
iso
propyl acetate
FL/FR
propyl valerate
FL/FR
fatty
allyl decanoate
FL/FR
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
citronellyl acetate
FL/FR
geranyl valerate
FL/FR
hexyl 2-furoate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl sorbate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
amyl propionate
FL/FR
apple crotonate
FR
benzyl ethyl ether
FL/FR
benzyl methyl ether
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-4-octenoate
FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl-2-cyclopentenyl acetate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
hexenyl cyclopentanyl acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-octenoate
FL/FR
methyl 3-nonenoate
FL/FR
methyl acetoacetate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl nonanoate
FL/FR
nerolidyl isobutyrate
FR
(Z)-3-
octen-1-yl propionate
FL/FR
pear valerate
FR
2-
pentanone
FL/FR
pineapple hydroxyhexanoate
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl acetate
FL/FR
iso
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
(E)-2-
undecenal
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
green carboxylate
FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
melon nonenoate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
pineapple heptadienone 10%
FR
sorbyl isobutyrate
FL/FR
spirogalbanone (Givaudan)
FR
herbal
dihydroterpinyl acetate
FL/FR
herbal undecanone
FR
(1S,5R)-
myrtenyl acetate
FL/FR
terpinolene
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
musk
musk propanoate
FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
pine
pine oil 85
FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
pina colada fragrance
FR
tropical 3-thiobutyrate
FL/FR
waxy
3-
decanone
FL/FR
ethyl octanoate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
woody
juniper berry oil terpenes
FR
For Flavor
No flavor group found for these
acetaldehyde diisoamyl acetal
FL/FR
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl valerate
FL
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
cyclohexyl hexanoate
FL/FR
3-
decanone
FL/FR
9-
decen-2-one
FL
dihydroterpinyl acetate
FL/FR
ethyl (Z)-3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl valerate
FL/FR
2-
heptenoic acid
FL
hexanal diethyl acetal
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 2-octenoate
FL/FR
methyl acetoacetate
FL/FR
S-(
methyl thio) hexanoate
FL
2-
methyl-3-ethoxypyrazine
FL/FR
nopol
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl valerate
FL/FR
sorbyl propionate
FL
(Z)-8-
tetradecenal
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
sorbyl isobutyrate
FL/FR
chemical
chemical
methyl ethyl ketone
FL/FR
citrus
dehydronootkatone
FL
estery
propyl acetate
FL/FR
ethereal
ethyl acetate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
2-
dodecanone
FL/FR
floral
citronellyl acetate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl decanoate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
furfuryl valerate
FL
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methionyl butyrate
FL
methyl (E)-2-octenoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
(
methyl thio) methyl hexanoate
FL
(Z)-3-
octen-1-yl propionate
FL/FR
2-
pentanone
FL/FR
pineapple hydroxyhexanoate
FL/FR
iso
propyl butyrate
FL/FR
iso
propyl propionate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
2-
ethyl butyraldehyde
FL
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl 2-furoate
FL/FR
hexyl isobutyrate
FL/FR
melon nonenoate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
(Z)-2-
penten-1-ol
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
propyl propionate
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
heptanoic acid
FL/FR
propyl heptanoate
FL/FR
(E)-2-
undecenal
FL/FR
winey
methyl nonanoate
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
terpinolene
FL/FR
 
Potential Uses:
FRcitrus
FRfruit
FRpear
FRpineapple
 
Occurrence (nature, food, other):note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.20%
Data GC Search Trop Picture
 pineapple fruit
Search Trop Picture
 
Synonyms:
isobutyric acid isopropyl ester
isobutyric acid, isopropyl ester
1-methyl ethyl 2-methyl propanoate
2-methyl propanoic acid 1-methyl ethyl ester
1-methylethyl 2-methylpropanoate
2-methylpropanoic acid 1-methylethyl ester
 propan-2-yl 2-methylpropanoate
isopropyl 2-methyl propanoate
isopropyl 2-methylpropanoate
isopropyl iso butyrate
iso-propyl-iso-butyrate
 
 
Notes:
Used in fruit flavouring
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