EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethyl 3-methyl valerate
ethyl 3-methylpentanoate

Sponsors

Name:ethyl 3-methylpentanoate
CAS Number: 5870-68-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-524-4
FDA UNII:0D51CRF76E
Nikkaji Web:J101.334C
XlogP3-AA:2.30 (est)
Molecular Weight:144.21392000
Formula:C8 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (3R)-3-methylpentanoate
CAS Number: 5870-68-8 (R)Picture of molecule3D/inchi
Nikkaji Web:J84.259A
XlogP3-AA:2.30 (est)
Molecular Weight:144.21392000
Formula:C8 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (3S)-3-methylpentanoate
CAS Number: 5870-68-8 (S)Picture of molecule3D/inchi
Nikkaji Web:J84.258C
XlogP3-AA:2.30 (est)
Molecular Weight:144.21392000
Formula:C8 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
(R) or (S) enantiomer not specified by CASrn in Register.
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:215 ethyl 3-methylpentanoate
FLAVIS Number:09.541 (Old)
DG SANTE Food Flavourings:09.541 ethyl 3-methylvalerate
FEMA Number:3679 ethyl 3-methylpentanoate
FDA Mainterm: ETHYL 3-METHYLPENTANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 to 0.87200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.256
Refractive Index:1.40300 to 1.41300 @ 20.00 °C.
Boiling Point: 155.00 to 156.00 °C. @ 760.00 mm Hg
Boiling Point: 75.00 °C. @ 50.00 mm Hg
Vapor Pressure:2.906000 mm/Hg @ 25.00 °C. (est)
Flash Point: 113.00 °F. TCC ( 45.00 °C. )
logP (o/w): 2.650 (est)
Soluble in:
 alcohol
 water, 356.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
pineapple fruity natural tropical
Odor Description:at 100.00 %. pineapple fruity
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ETHYL 3-METHYL PENTANOATE ≥98.0%, Kosher
Odor Description:A pineapple, fruity odor with natural connotations
Used mostly in fruity fragrances.
Taste Description:fruity
Finds use in apple, pineapple and other fruit flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
Ethyl 3-methyl pentanoate
Bedoukian Research
ETHYL 3-METHYL PENTANOATE
≥98.0%, Kosher
Odor: A pineapple, fruity odor with natural connotations
Use: Used mostly in fruity fragrances.
Flavor: fruity
Finds use in apple, pineapple and other fruit flavors.
Beijing Lys Chemicals
Ethyl 3-methylpentanoate
BOC Sciences
For experimental / research use only.
ETHYL 3-METHYL PENTANOATE 98.0%
Penta International
ETHYL-3-METHYL VALERATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 3-methylpentanoate
Shanghai Vigen Fine Chemical
Ethyl 3-Methylpentanoate
Synerzine
Ethyl 3-Methylpentanoate
TCI AMERICA
For experimental / research use only.
Ethyl 3-methylvalerate >98.0%(GC)
 
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 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:
oral-rat LD50 > 4000 mg/kg
(Biosphere Res Center Inc.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for ethyl 3-methyl valerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.27 (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: 13
 average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): -0.10000
beverages(alcoholic): -0.10000
breakfast cereal: -0.10000
cheese: --
chewing gum: -0.50000
condiments / relishes: --
confectionery froastings: -0.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: -0.10000
imitation dairy: -0.10000
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: -0.50000
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):
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :560255
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
ethyl 3-methylpentanoate
Chemidplus:0005870688
ethyl (3R)-3-methylpentanoate
ethyl (3S)-3-methylpentanoate
 
References:
 ethyl 3-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5870-68-8
Pubchem (cid):560255
Pubchem (sid):135263702
 ethyl (3R)-3-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5870-68-8
Pubchem (cid):7567160
Pubchem (sid):40044933
 ethyl (3S)-3-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5870-68-8
Pubchem (cid):7567163
Pubchem (sid):40044936
 
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):HMDB34234
FooDB:FDB012546
Export Tariff Code:2915.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl propionate
FL/FR
cheesy
heptanoic acid
FL/FR
chemical
propyl propionate
FL/FR
ethereal
propyl valerate
FL/FR
fatty
allyl decanoate
FL/FR
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
geranyl valerate
FL/FR
jasmin cyclopentanol
FR
phenethyl hexanoate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl amyl glycolate
FR
allyl butyrate
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 isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
allyl salicylate
FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
(Z)-
buchu mercaptan
FL/FR
iso
butyl 2-butenoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
ethyl-2-cyclopentenyl acetate
FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
2-
undecanone
FL/FR
vanilla carboxylate
FL/FR
green
cognac heptanone
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
green cyclopropionate
FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
pineapple heptadienone 10%
FR
sorbyl isobutyrate
FL/FR
spirogalbanone (Givaudan)
FR
herbal
benzyl octanoate
FL/FR
buchu oxime
FR
chamomile isobutyrate
FR
herbal undecanone
FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
pina colada fragrance
FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
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
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl octanoate
FL/FR
(Z)-
buchu mercaptan
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
9-
decen-2-one
FL
ethyl 5-hydroxyoctanoate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl valerate
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl valerate
FL/FR
sorbyl propionate
FL
2-
tropical oxathiane
FL/FR
iso
butyl furyl propionate
FL/FR
sorbyl isobutyrate
FL/FR
caramellic
caramellic
maltyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
floral
tropical ionone
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
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isovalerate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
methionyl butyrate
FL
methyl (E)-2-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
(
methyl thio) methyl hexanoate
FL
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
butyl 2-butenoate
FL/FR
geranyl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl octanoate
FL/FR
heptanoic acid
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FRapple
 fruit tropical fruit
FRpineapple
 
Occurrence (nature, food, other):note
 cheese
Search PMC Picture
 dalieb
Search Trop Picture
 snake fruit
Search Trop Picture
 strawberry jam
Search Picture
 wine
Search Picture
 
Synonyms:
 ethyl 3-methyl pentanoate
 ethyl 3-methylpentanoate
 ethyl 3-methylvalerate
 ethyl b-methylvalerate
 ethyl-3-methyl valerate
3-methylpentanoic acid ethyl ester
3-methylvaleric acid ethyl esterer
 pentanoic acid, 3-methyl-, ethyl ester
 pineapple valerate
 valeric acid, 3-methyl-, ethyl ester
 
 
Notes:
Flavouring ingredient
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