2-methyl butyl isobutyrate
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      METHYL 2 BUTYL ISO BUTYRATE
       
 
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2-methylbutyl 2-methylpropanoate (Click)
CAS Number: 2445-69-4
ECHA EC Number:219-493-0
CoE Number:10770
XlogP3-AA:2.80 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict
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)
EU SANCO Food Flavourings:09.663  2-methylbutyl isobutyrate

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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
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Organoleptic Properties:
Odor Type:fruity
Odor Description:
fruity ethereal
  
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Cosmetic Information:
None found
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Suppliers:
Grau Aromatics
METHYL-2-BUTYL-iso-BUTYRATE
NI, Kosher
SRS Aromatics
METHYL 2 BUTYL ISO BUTYRATE
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Safety Information:
Oral/Parenteral Toxicity:
  Not determined
Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category:flavoring agents
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
Recommendation for 2-methyl butyl isobutyrate usage levels up to:
 not for fragrance use.
 
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
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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 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
page or 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
page or pdf
EPI System:View
Chemicalize.org:Calculate predicted properties
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
 2-methylbutyl 2-methylpropanoate
DTP/NCI:53946
Chemidplus:0002445694
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References:
 2-methylbutyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):97883
Pubchem (sid):135052310
Pherobase Floral: View
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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
Export Tariff Code:2915.60.1900
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Natural Occurrence in: note
 apricot
GRIN Trop Picture
 beer
 cheese
 hop oil - up to 44000 mg/kg
GRIN Trop Picture
 meat
 tea black tea
 eriocephalus punctulatus flower oil @ 22.50%
Data  GC 
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data  GC 
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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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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 136.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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