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

2-methyl butyl isobutyrate
2-methylbutyl isobutyrate

Sponsors

Name:2-methylbutyl 2-methylpropanoate
CAS Number: 2445-69-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-493-0
Nikkaji Web:J100.891I
CoE Number:10770
XlogP3-AA:2.80 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
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
FLAVIS Number:09.663 (Old)
DG SANTE Food Flavourings:09.663 2-methylbutyl isobutyrate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85600 to 0.86200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.123 to 7.173
Refractive Index:1.40800 to 1.41000 @ 20.00 °C.
Boiling Point: 168.00 to 170.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.895000 mm/Hg @ 25.00 °C. (est)
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 3.021 (est)
Soluble in:
 alcohol
 water, 136.1 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity ethereal tropical banana
Odor Description:at 100.00 %. fruity ethereal tropical banana
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
2-METHYL BUTYL ISOBUTYRATE NATURAL
BOC Sciences
For experimental / research use only.
2-Methylbutyl Isobutyrate
ECSA Chemicals
Methyl-2-butyl Isobutyrate
Company Profile
Grau Aromatics
METHYL-2-BUTYL-iso-BUTYRATE
NI, Kosher
Indenta Group
2-Methyl Butyl Isobutyrate
M&U International
NAT. 2-METHYLBUTYL ISOBUTYRATE
SRS Aromatics
METHYL 2 BUTYL ISO BUTYRATE
 
Safety Information:
Preferred SDS: View
 
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 isobutyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 :97883
National Institute of Allergy and Infectious Diseases:Data
2-methylbutyl 2-methylpropanoate
Chemidplus:0002445694
 
References:
 2-methylbutyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):97883
Pubchem (sid):135052310
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.1900
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alcoholic
fusel oil
FL/FR
chemical
iso
butyl formate
FL/FR
ethereal
acetal
FL/FR
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
iso
propyl acetate
FL/FR
propyl valerate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
floral
nonan-3-yl acetate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl hexanoate
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl acetate
FL/FR
iso
butyl valerate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl propionate
FL/FR
furfuryl acetate
FL/FR
geranyl ethyl ether
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl propionate
FL/FR
green
cognac heptanone
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
For Flavor
No flavor group found for these
acetaldehyde diisoamyl acetal
FL/FR
butyl methyl ketone
FL
ethyl 2-methyl-2-(methyl thio) propionate
FL
geranyl ethyl ether
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
2-
heptenoic acid
FL
2-
methyl butyl propionate
FL
S-(
methyl thio) hexanoate
FL
nonan-3-yl acetate
FL/FR
propyl valerate
FL/FR
citrus
citrus
cognac heptanone
FL/FR
estery
furfuryl acetate
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
methyl isobutyrate
FL/FR
iso
propyl acetate
FL/FR
fruity
allyl hexanoate
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl acetate
FL/FR
iso
butyl valerate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl propionate
FL/FR
fusel oil
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl propionate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fusel
methyl butyrate
FL/FR
green
2-
ethyl butyraldehyde
FL
hexyl 2-methyl butyrate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
nutty
acetal
FL/FR
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apricot fruit
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 beer
Search PMC Picture
 cheese
Search PMC Picture
 eriocephalus punctulatus flower oil @ 22.50%
Data GC Search Trop Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data GC Search Trop Picture
 hop oil - up to 44000 mg/kg
Search Trop Picture
 meat
Search PMC Picture
 tea black tea
Search Trop Picture
 
Synonyms:
isobutyric acid 2-methyl butyl ester
isobutyric acid 2-methylbutyl ester
isobutyric acid, 2-methylbutyl ester
2-methyl butyl 2-methyl propanoate
2-methyl butyl 2-methyl propionate
2-methyl propanoic acid 2-methyl butyl ester
2-methylbutyl 2-methylpropanoate
2-methylbutyl 2-methylpropionate
2-methylbutyl isobutyrate
2-methylpropanoic acid 2-methylbutyl ester
 propanoic acid, 2-methyl-, 2-methylbutyl ester
 

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