2-pentyl 2-methyl pentanoate
2-pentyl 2-methylpentanoate
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 90397-36-7Picture of molecule3D/inchi
FDA UNII: F9V9W3014W
XlogP3-AA: 3.70 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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JECFA Food Flavoring: 2072  2-pentyl 2-methylpentanoate
FEMA Number: 4401 2-pentyl 2-methylpentanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):90397-36-7 ; 2-PENTYL 2-METHYLPENTANOATE
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Physical Properties:
Appearance: colorless to yello clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84700 to 0.85300 @  20.00 °C.
Pounds per Gallon - (est).: 7.056 to  7.106
Refractive Index: 1.41000 to 1.46000 @  20.00 °C.
Boiling Point: 76.00 to  77.00 °C. @ 10.00 mm Hg
Soluble in:
 water, 14.51 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 pear  
Odor Description:
at 10.00 % in dipropylene glycol. 
pear
 
 
Flavor Type: fruity
 
 pear  
Taste Description:
pear
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
2-pentyl 2-methyl pentanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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: flavoring agents
Recommendation for 2-pentyl 2-methyl pentanoate usage levels up to:
 not for fragrance use.
 
Structure Class: I
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.020000.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.100000.50000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.05000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.020000.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.010000.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 2.5000010.00000
soft candy: 0.020000.10000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
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 : 57090934
National Institute of Allergy and Infectious Diseases: Data
 pentan-2-yl 2-methylpentanoate
Chemidplus: 0090397367
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References:
 pentan-2-yl 2-methylpentanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 57090934
Pubchem (sid): 135347855
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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): Search
FooDB: FDB010042
ChemSpider: View
FAO: 2-Pentyl 2-methylpentanoate
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Potential Blenders and core components note
 
For Odor
alcoholic
alcoholic
 propyl alcoholFL/FR
animal
 methyl (E)-2-octenoateFL/FR
fatty
3-decen-2-oneFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 hexyl 2-furoateFL/FR
 hexyl lactateFL/FR
 neryl acetateFL/FR
fruity
 amyl acetateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
 benzyl butyrateFL/FR
isobutyl 2-butenoateFL/FR
 butyl isovalerateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl cyclohexane propionateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-decenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl butyrateFL/FR
 methyl nonanoateFL/FR
 methyl octadienoateFL/FR
 neryl isobutyrateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 pear essenceFL/FR
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 pyrus communis fruit extractFL/FR
 tropical dienoate (Bedoukian)FL/FR
green
 cognac heptanoneFL/FR
 diphenyl methaneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green note propionateFL/FR
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/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
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 melon nonenoateFL/FR
 methyl (E)-3-hexenoateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(E)-2-octen-1-yl acetateFL/FR
3-octyl formateFL/FR
 sorbyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
spicy
 cinnamyl isovalerateFL/FR
sulfurous
4-tropical oxathianeFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
waxy
 tetradecanalFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 
For Flavor
 
No flavor group found for these
 acetoneFL
9-decen-2-oneFL
 ethyl (Z)-3-hexenoateFL/FR
 ethyl cyclohexane propionateFL/FR
3-heptyl acetateFL
 hexanal diethyl acetalFL/FR
2-hexyl acetateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-decenoateFL/FR
 methyl octadienoateFL/FR
isopropyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 sorbyl isobutyrateFL/FR
alcoholic
 propyl alcoholFL/FR
citrus
 cognac heptanoneFL/FR
estery
 propyl acetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
 tetradecanalFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 neryl acetateFL/FR
fruity
 amyl acetateFL/FR
 amyl hexanoateFL/FR
 benzyl butyrateFL/FR
 butyl isovalerateFL/FR
 cinnamyl isovalerateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 furfuryl propionateFL
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 methyl (E)-2-octenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl butyrateFL/FR
 neryl isobutyrateFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-3-octen-1-yl propionateFL/FR
 pear distillatesFL
 pear enhancersFL
 pear essenceFL/FR
asian pear flavorFL
comice pear flavorFL
bartlett pear flavorFL
 pear flavorFL
 pear flavor for chocolateFL
 pear juice concentrateFL
 prenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 pyrus communis fruit extractFL/FR
 salacca zalacca fruitFL
 snake fruit flavorFL
 tropical dienoate (Bedoukian)FL/FR
4-tropical oxathianeFL/FR
green
isobutyl 2-butenoateFL/FR
3-decen-2-oneFL/FR
 diphenyl methaneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/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
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 melon nonenoateFL/FR
 methyl (E)-3-hexenoateFL/FR
(E,Z)-3,6-nonadien-1-olFL/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
(E)-2-octen-1-yl acetateFL/FR
melon
 propyl 2,4-decadienoateFL/FR
tropical
3-mercaptohexyl acetateFL/FR
waxy
isoamyl butyrateFL/FR
3-octyl formateFL/FR
 propyl heptanoateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-methyl pentanoic acid 2-pentyl ester
 pentan-2-yl 2-methylpentanoate
 pentanoic acid, 2-methyl-, 1-methylbutyl ester
(+/-)-2-pentyl 2-methylpentanoate
2-pentyl 2-methylpentanoate
2-pentyl 2-methylpentanoate, (+/-)-
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