isopropyl isobutyrate
isobutyric acid, isopropyl ester
 
Notes:
Used in fruit flavouring
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      US Fax: (973) 740-1839
      Product(s):
      09-55000 ISOPROPYL ISOBUTYRATE
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      isoPROPYL ISO BUTYRATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W098 isoPropyl Isobutyrate
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 28,000 Reagents available today in benchtop to bulk quantities. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 28,000 products as well as custom synthesis. TCI has established overseas facilities in North America, Europe, China and India to serve customers worldwide.
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      Product(s):
      I0109 isoPropyl Isobutyrate >98.0%(GC)
       
  • Ernesto Ventós
Synonyms   Articles   Notes   Search
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
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 (SATF):617-50-5 ; 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.
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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 mmHg @ 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
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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
 
 
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Cosmetic Information:
None found
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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
SRS Aromatics
isoPROPYL ISO BUTYRATE
Synerzine
isoPropyl Isobutyrate
TCI AMERICA
For experimental / research use only.
isoPropyl Isobutyrate >98.0%(GC)
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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: --
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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
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References:
 propan-2-yl 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 617-50-5
Pubchem (cid): 12044
Pubchem (sid): 134978071
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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): HMDB38227
FooDB: FDB017472
Export Tariff Code: 2915.60.0000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(Z)-8-tetradecenalFL/FR
animal
 methyl (E)-2-octenoateFL/FR
balsamic
 nopolFL/FR
 heptanoic acidFL/FR
chemical
isobutyl formateFL/FR
 propyl propionateFL/FR
2-dodecanoneFL/FR
ethereal
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
 methyl acetateFL/FR
 methyl ethyl ketoneFL/FR
2-methyl valeraldehydeFL/FR
isopropyl acetateFL/FR
 propyl valerateFL/FR
fatty
 allyl decanoateFL/FR
 allyl octanoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
 citronellyl acetateFL/FR
 geranyl valerateFL/FR
 hexyl 2-furoateFL/FR
fruity
 acetaldehyde diisoamyl acetalFL/FR
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl sorbateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
 amyl propionateFL/FR
 apple crotonateFR
 benzyl ethyl etherFL/FR
 benzyl methyl etherFL/FR
isobutyl (E)-2-butenoate 
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl hexanoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-octenoateFR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl-2-cyclopentenyl acetateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
2-hexenyl cyclopentanyl acetateFR
 hexyl (E)-tiglateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-octenoateFL/FR
 methyl 3-nonenoateFL/FR
 methyl acetoacetateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL/FR
 nerolidyl isobutyrateFR
(Z)-3-octen-1-yl propionateFL/FR
 pear valerateFR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl acetateFL/FR
isopropyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isovalerateFL/FR
isopropyl propionateFL/FR
(E)-2-undecenalFL/FR
green
 acetaldehyde methyl hexyl acetalFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
 green carboxylateFR
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 melon nonenoateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-2-penten-1-olFL/FR
 pineapple heptadienone 10%FR
 sorbyl isobutyrateFL/FR
 spirogalbanone (Givaudan)FR
herbal
 dihydroterpinyl acetateFL/FR
 herbal undecanoneFR
(1S,5R)-myrtenyl acetateFL/FR
 terpinoleneFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
musk
 musk propanoateFR
nutty
2-methyl-3-ethoxypyrazineFL/FR
pine
 pine oil 85FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
 pina colada fragranceFR
 tropical 3-thiobutyrateFL/FR
waxy
3-decanoneFL/FR
 ethyl octanoateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
woody
 juniper berry oil terpenesFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde diisoamyl acetalFL/FR
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl valerateFL
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
 cyclohexyl hexanoateFL/FR
3-decanoneFL/FR
9-decen-2-oneFL
 dihydroterpinyl acetateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclohexyl carboxylateFL
 geranyl valerateFL/FR
2-heptenoic acidFL
 hexanal diethyl acetalFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-octenoateFL/FR
 methyl acetoacetateFL/FR
S-(methyl thio) hexanoateFL
2-methyl-3-ethoxypyrazineFL/FR
 nopolFL/FR
isopropyl hexanoateFL/FR
isopropyl isovalerateFL/FR
 propyl valerateFL/FR
 sorbyl propionateFL
(Z)-8-tetradecenalFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 sorbyl isobutyrateFL/FR
chemical
 methyl ethyl ketoneFL/FR
citrus
 dehydronootkatoneFL
estery
 propyl acetateFL/FR
ethereal
 ethyl acetateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
2-dodecanoneFL/FR
floral
 citronellyl acetateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl decanoateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
 benzyl methyl etherFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl valerateFL
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methionyl butyrateFL
 methyl (E)-2-octenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl allyl butyrateFL
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
(methyl thio) methyl hexanoateFL
(Z)-3-octen-1-yl propionateFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
isopropyl butyrateFL/FR
isopropyl propionateFL/FR
green
isobutyl 2-butenoateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
2-ethyl butyraldehydeFL
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl isobutyrateFL/FR
 melon nonenoateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
2,4-octadienalFL
(E,E)-2,4-octadienalFL
(Z)-2-penten-1-olFL/FR
melon
 propyl 2,4-decadienoateFL/FR
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
3-mercaptohexyl acetateFL/FR
 propyl propionateFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
isobutyl (E)-2-butenoate 
 ethyl octanoateFL/FR
 heptanoic acidFL/FR
 propyl heptanoateFL/FR
(E)-2-undecenalFL/FR
winey
 methyl nonanoateFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 terpinoleneFL/FR
 
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Potential Uses:
 citrusFR
 fruitFR
 pearFR
 pineappleFR
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Occurrence (nature, food, other): note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.20%
Data  GC  Search Trop  Picture
 pineapple fruit
Search Trop  Picture
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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
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