2-methyl butyl 3-methyl butenoate
2-methylbutyl 3-methyl-2-butenoate
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      97890-13-6 2-Methylbutyl 3-methylbutenoate
       
  • CSA
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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
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 (SATF):97890-13-6 ; 2-METHYLBUTYL 3-METHYL-2-BUTENOATE
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
None found
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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 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-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
Click here to view publication 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
Chewing gum (05.0): --
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): --
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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):
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
Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15
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
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References:
 2-methylbutyl 3-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 113425
Pubchem (sid): 135144291
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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): HMDB32393
FooDB: FDB009821
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
isoamyl cinnamateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
berry
 blackberry infusionsFL/FR
 rubus fruticosus fruit extractFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 ionone mixed isomersFL/FR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus concreteFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
laevo-rose oxideFL/FR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
fruity
 apricot essenceFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 blackberry essenceFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
 tropical trithianeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl phenyl acetateFL/FR
herbal
 tagete oil madagascarFL/FR
 theaspiraneFL/FR
medicinal
ortho-cresyl acetateFL/FR
musk
 ethylene brassylateFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
black currant bud absoluteFL/FR
 spicy acetoacetateFL/FR
sulfurous
 blackberry thiophenoneFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 orris rhizome oil CO2 extractFL/FR
 phytyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 blackberry thiophenoneFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
ortho-cresyl acetateFL/FR
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
3-mercaptooctanalFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
berry
 blackberry infusionsFL/FR
 heptyl isobutyrateFL/FR
 rubus fruticosus fruit extractFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
cooling
 theaspiraneFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
isoamyl cinnamateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl butyrateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
laevo-rose oxideFL/FR
 tropical iononeFL/FR
fruity
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 blackberry essenceFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
 hexyl phenyl acetateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
green
(E)-citronellyl tiglateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
isojasmoneFL/FR
honey
 phenethyl isobutyrateFL/FR
musk
 ethylene brassylateFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
black currant bud absoluteFL/FR
 spicy acetoacetateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 orris rhizome oil CO2 extractFL/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-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
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Articles:
 None found yet.
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