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2-methyl butyl 3-methyl butenoate
2-methylbutyl 3-methyl-2-butenoate

Sponsors

Name:2-methylbutyl 3-methylbut-2-enoate
CAS Number: 97890-13-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:308-193-6
FDA UNII:X69H9499RF
Nikkaji Web:J327.109I
XlogP3-AA:3.20 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a). (CASrn in Register refer to racemate).
Category:flavoring 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
JECFA Food Flavoring:1816 2-methylbutyl 3-methyl-2-butenoate
FLAVIS Number:09.942 (Old)
DG SANTE Food Flavourings:09.942 2-methylbutyl 3-methyl-2-butenoate
FEMA Number:4306 2-methylbutyl 3-methyl-2-butenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-METHYLBUTYL 3-METHYL-2-BUTENOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88100 to 0.89100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.331 to 7.414
Refractive Index:1.45100 to 1.46100 @ 20.00 °C.
Boiling Point: 209.00 to 210.00 °C. @ 760.00 mm Hg
Boiling Point: 57.00 to 60.00 °C. @ 3.50 mm Hg
Vapor Pressure:0.206000 mm/Hg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 3.597 (est)
Soluble in:
 alcohol
 water, slightly
 triacetin
 propylene glycol
 water, 53.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
blackberry peely tobacco metallic
Odor Description:at 100.00 %. blackberry peely light tobacco metallic
Flavor Type: floral
">fleshy metallic floral powdery fatty
Taste Description: at 4.00 ppm in water. fleshy, metallic, skinny, floral, complex, powdery, fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methylbutyl 3-methylbutenoate
Parchem
2-methyl butyl 3-methyl butenoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-methyl butyl 3-methyl butenoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 2.000008.00000
beverages(alcoholic): 4.0000010.00000
breakfast cereal: 5.0000010.00000
cheese: --
chewing gum: 10.0000020.00000
condiments / relishes: --
confectionery froastings: 5.0000010.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.0000010.00000
fruit ices: 2.000008.00000
gelatins / puddings: 2.000008.00000
granulated sugar: --
gravies: --
hard candy: 20.0000050.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 5.0000010.00000
meat products: --
milk products: 2.000005.00000
nut products: --
other grains: --
poultry: --
processed fruits: 4.0000010.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 5.0000010.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 2.000005.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 5.0000010.00000
Processed fruit (04.1): 4.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 4.0000010.00000
Confectionery (05.0): 5.0000010.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000010.00000
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000008.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000010.00000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :113425
National Institute of Allergy and Infectious Diseases:Data
2-methylbutyl 3-methylbut-2-enoate
Chemidplus:0097890136
 
References:
 2-methylbutyl 3-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):113425
Pubchem (sid):135144291
 
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):HMDB32393
FooDB:FDB009821
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
balsamic
balsamic
iso
amyl cinnamate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
berry
blackberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
citrus
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
ionone mixed isomers
FL/FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus concrete
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
laevo-
rose oxide
FL/FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
fruity
apricot essence
FL/FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
blackberry essence
FL/FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl levulinate
FL/FR
heptyl isobutyrate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
tropical trithiane
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl phenyl acetate
FL/FR
magnolia flower oil CO2 extract
FL/FR
herbal
tagete oil madagascar
FL/FR
theaspirane
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
musk
ethylene brassylate
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
para-
anisyl formate
FL/FR
black
currant bud absolute
FL/FR
spicy acetoacetate
FL/FR
sulfurous
blackberry thiophenone
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
orris rhizome oil CO2 extract
FL/FR
phytyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
amyl angelate
FL
benzyl valerate
FL/FR
blackberry thiophenone
FL/FR
butyl 2-naphthyl ether
FL/FR
2-
butyl thiophene
FL
ortho-
cresyl acetate
FL/FR
2,4-
difurfuryl furan
FL
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 3-hydroxyoctanoate
FL
ethyl ethyl anthranilate
FL/FR
4-
hydroxyphenethyl alcohol
FL
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
3-
mercaptooctanal
FL
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
iso
propyl benzoate
FL/FR
(R)-
styralyl acetate
FL/FR
vitispirane
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
berry
berry
blackberry infusions
FL/FR
heptyl isobutyrate
FL/FR
rubus fruticosus fruit extract
FL/FR
burnt
ethyl 2-furoate
FL
citrus
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
cooling
theaspirane
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
iso
amyl cinnamate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
linalyl butyrate
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
laevo-
rose oxide
FL/FR
tropical ionone
FL/FR
fruity
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
blackberry essence
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
hexyl phenyl acetate
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
iso
jasmone
FL/FR
honey
phenethyl isobutyrate
FL/FR
musk
ethylene brassylate
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
black
currant bud absolute
FL/FR
spicy acetoacetate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
methyl ionyl acetate
FL/FR
orris rhizome oil CO2 extract
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butenoic acid, 3-methyl-, 2-methylbutyl ester
2-methyl butyl 3-methyl but-2-enoate
2-methyl butyl 3-methyl-2-butenoate
2-methyl butyl senecioate
2-methylbutyl 3-methyl-2-butenoate
2-methylbutyl 3-methylbut-2-enoate
2-methylbutyl 3-methylbutenoate
2-methylbutyl senecioate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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