2-methyl butyl hexanoate
hexanoic acid, 2-methylbutyl ester
 
Notes:
None found
  • Advanced Biotech
    • Advanced Biotech. Inc.
      Inspired by Nature
      A diverse range of products, all meeting our stringent commitment to quality.
      Advanced Biotech is a leading manufacturer and supplier of high-quality Natural flavoring ingredients & botanical extracts for the food/beverage, cosmetic and personal care industries. With over 25 years of experience working with Fermentation processing & botanical extracts, we can help develop new innovative and functional products for today‪s competitive marketplace. Our company prides itself in the ability to cater to our customer‪s specific needs while maintaining our focus on integrity, honesty and the commitment to high quality product standards. We proudly offer our quality Natural ingredients to companies around the world.
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      1674 2-METHYL BUTYL CAPROATE NATURAL
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  • BOC Sciences
    • BOC Sciences
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      2601-13-0 2-Methylbutyl Hexanoate
       
  • M&U International
    • M&U International LLC
      Steady supply & demand
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      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers.
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      N0178 NAT. 2-METHYLBUTYL HEXANOATE
       
  • 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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      METHYL 2 BUTYL CAPROATE
       
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CAS Number: 2601-13-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 220-005-3
FDA UNII: Search
Nikkaji Web: J99.516I
CoE Number: 10768
XlogP3-AA: 3.70 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome, Edge 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
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 09.662  2-methylbutyl hexanoate
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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: 1.41700 to 1.42300 @  20.00 °C.
Boiling Point: 211.00 to  213.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.158000 mmHg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 4.196 (est)
Soluble in:
 alcohol
 water, 12.56 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
ethereal
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Advanced Biotech
2-METHYL BUTYL CAPROATE NATURAL
BOC Sciences
For experimental / research use only.
2-Methylbutyl Hexanoate
Grau Aromatics
METHYL-2-BUTYL-CAPROATE (METHYL-2-BUTYLHEXANOATE)
NI, Kosher
Inoue Perfumery
2-METHYLBUTYL HEXANOATE
M&U International
NAT. 2-METHYLBUTYL HEXANOATE
SRS Aromatics
METHYL 2 BUTYL CAPROATE
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 2-methyl butyl hexanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (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
Chewing gum (05.0): --
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): 5.0000025.00000
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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 2601-13-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 102855
National Institute of Allergy and Infectious Diseases: Data
 2-methylbutyl hexanoate
Chemidplus: 0002601130
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References:
 2-methylbutyl hexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2601-13-0
Pubchem (cid): 102855
Pubchem (sid): 135057804
Pherobase: View
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.90.8000
Typical G.C.
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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Occurrence (nature, food, other): note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data  GC  Search Trop  Picture
 nigritella nigra
Search Trop  Picture
 passion fruit
Search Trop  Picture
 pear fruit
Search Trop  Picture
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Synonyms:
 hexanoic acid 2-methyl butyl ester
 hexanoic acid 2-methylbutyl ester
 hexanoic acid, 2-methylbutyl ester
2-methyl butyl caproate
 methyl-2-butyl-caproate (methyl-2-butylhexanoate)
2-methylbutyl caproate
2-methylbutyl hexanoate
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