methyl 4-methyl valerate
methyl 4-methylvalerate
 
Notes:
Present in pineapple. Flavouring ingredient with a sweet, pineapple-like flavour
  • BOC Sciences
    • BOC Sciences
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      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      2412-80-8 Pentanoic acid,4-methyl-, methyl ester
       
  • 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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      Product(s):
      13-56600 METHYL-4-METHYL VALERATE
       
  • Sigma-Aldrich
  • 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):
      V646M Methyl 4-Methylpentanoate
       
Synonyms   Articles   Notes   Search
CAS Number: 2412-80-8Picture of molecule3D/inchi
Other: 2412-24-1
ECHA EINECS - REACH Pre-Reg: 219-320-9
FDA UNII: J4R2BY5GJT
Nikkaji Web: J144.104C
MDL: MFCD00191236
CoE Number: 322
XlogP3: 2.10 (est)
Molecular Weight: 130.18698000
Formula: C7 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: JECFA CASrn 2412-24-1 not valid.
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: 216  methyl 4-methylvalerate
FLAVIS Number: 09.432 (Old)
DG SANTE Food Flavourings: 09.432  methyl 4-methylvalerate
FEMA Number: 2721  methyl 4-methylvalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2412-80-8 ; METHYL 4-METHYLVALERATE
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.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88800 @  25.00 °C.
Refractive Index: 1.40400 @  20.00 °C.
Boiling Point: 139.00 to  140.00 °C. @ 760.00 mm Hg
Vapor Pressure: 7.853000 mmHg @ 25.00 °C. (est)
Flash Point: 103.00 °F. TCC ( 39.44 °C. )
logP (o/w): 2.158 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 1070 mg/L @ 25 °C (est)
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 fruity  sweet  banana  pineapple  cheesy  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity sweet banana pineapple cheese
 
 fruity  sweet  banana  pineapple  cheesy  
Odor Description:
Fruity, sweet, banana, pineapple, with cheese-like nuances
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
 
 
Flavor Type: fruity
 
 fruity  sweet  banana  pineapple  apple  ripe  candy  
Taste Description:
at 50.00 ppm.  
Fruity, sweet, banana, pineapple, apple-like with ripe candy nuances
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
Pentanoic acid,4-methyl-, methyl ester
Penta International
METHYL-4-METHYL VALERATE
Sigma-Aldrich
Methyl 4-methylvalerate, ≥97%
Odor: pineapple; sweet
Certified Food Grade Products
Synerzine
Methyl 4-Methylpentanoate
Synonyms   Articles   Notes   Search   Top
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - 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 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
Synonyms   Articles   Notes   Search   Top
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 methyl 4-methyl valerate usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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: -33.00000
beverages(nonalcoholic): -11.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -44.00000
fruit ices: -44.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -33.00000
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: --
Synonyms   Articles   Notes   Search   Top
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
EPA Substance Registry Services (TSCA): 2412-80-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 17008
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 3
 methyl 4-methylpentanoate
Chemidplus: 0002412808
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References:
 methyl 4-methylpentanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2412-80-8
Pubchem (cid): 17008
Pubchem (sid): 134982711
Pherobase: View
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB36238
FooDB: FDB015096
Export Tariff Code: 2915.60.0000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
2-methyl hexanoic acidFL/FR
2-methyl-2-hexenoic acidFR
chemical
 propyl propionateFL/FR
earthy
 methyl 3-hexenoateFL/FR
ethereal
 butyl acetateFL/FR
 cyclohexyl formateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
(E)-2-octenalFL/FR
fermented
isoamyl alcoholFL/FR
floral
 benzyl acetoacetateFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
 phenethyl hexanoateFL/FR
 violet methyl carbonateFR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl benzoateFR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl propionateFL/FR
 allyl salicylateFR
(E,E)-allyl sorbateFL/FR
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
isoamyl butyrateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
 amyl isovalerateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
 amyl valerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl ethyl etherFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl (E)-2-butenoate 
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 butyl propionateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl malonateFL/FR
 dihydroactinidolideFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl acetateFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
4-heptanoneFL/FR
 herbanate (Givaudan)FR
(E)-2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl acetateFL/FR
2-hexyl butyrate 
 hexyl formateFL/FR
 hexyl isovalerateFL/FR
 methyl (Z)-4-octenoateFL/FR
2-methyl butyl acetateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
2-pentanoneFL/FR
2-pentyl butyrateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
green
 butyl heptanoateFL/FR
 cognac heptanoneFL/FR
 galbanum oxyacetateFR
(Z)-3-hepten-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
3-hexenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 methyl (E)-3-hexenoateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
herbal
isoamyl heptanoateFL/FR
2-pentyl acetateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
isoamyl decanoateFL/FR
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
2-nonanolFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
(E,E)-allyl sorbateFL/FR
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 amyl propionateFL/FR
 amyl valerateFL/FR
 benzyl ethyl etherFL/FR
sec-butyl acetateFL
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 diethyl maleateFL
 dihydroactinidolideFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclohexyl carboxylateFL
 geranyl 2-methyl butyrateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenoic acidFL
3-hexenyl acetateFL/FR
2-hexyl butyrate 
 methyl (E)-2-hexenoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 nonyl isovalerateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 sorbyl propionateFL
 benzyl acetoacetateFL/FR
alliaceous
 allyl propionateFL/FR
citrus
 cognac heptanoneFL/FR
creamy
 acetoin butyrateFL
2-methyl-4-pentenoic acidFL
dairy
2-pentyl acetateFL/FR
estery
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
(E)-2-octenalFL/FR
floral
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
 butyl heptanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl propionateFL/FR
 butyl valerateFL/FR
 cherimoya flavorFL
 cinnamyl isobutyrateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
alpha-damasconeFL/FR
 diethyl malonateFL/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
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl isovalerateFL
 furfuryl propionateFL
 furfuryl valerateFL
4-heptanoneFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl (E)-2-octenoateFL/FR
 methyl 3-hexenoateFL/FR
2-methyl allyl butyrateFL
2-methyl butyl acetateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 orange pineapple banana flavorFL
2-pentanoneFL/FR
2-pentyl butyrateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl isobutyrateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
fusel
isoamyl alcoholFL/FR
 methyl butyrateFL/FR
green
isoamyl isovalerateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 methyl (E)-3-hexenoateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
herbal
isoamyl heptanoateFL/FR
oily
2-methyl hexanoic acidFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 propyl propionateFL/FR
waxy
isoamyl butyrateFL/FR
isoamyl decanoateFL/FR
isobutyl (E)-2-butenoate 
 ethyl decanoateFL/FR
 ethyl octanoateFL/FR
2-nonanolFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 appleFL
 bananaFL
 pearFL
 pineappleFL
 tutti fruttiFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 michelia alba flower absolute @ 0.55%
Data  GC  Search Trop  Picture
 nicotiana longiflora
Search Trop  Picture
 pineapple fruit
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 banana valerate
 methyl 4-methyl pentanoate
 methyl 4-methyl valerate
 methyl 4-methylpentanoate
 methyl 4-methylvalerate
 methyl isobutyl acetate
 methyl isobutylacetate
 methyl isocaproate
 methyl isohexanoate
 methyl methyl valerate
4-methyl pentanoic acid methyl ester
4-methyl valeric acid methyl ester
 methyl-4-methyl valerate
 pentanoic acid, 4-methyl-, methyl ester
 valeric acid, 4-methyl-, methyl ester
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