5-methyl hexanoic acid
5-methylhexanoic acid
 
Notes:
Present in heated pork, strawberry and tea
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Perfecting the Art of Chemistry
      Working closely with our customers to meet their requirements.
      Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      474 5-METHYL HEXANOIC ACID ≥98.0%, Kosher
      SDS

      Can be used in cheese, butter and in fruit flavors for a 'natural fruit' note.
       
       
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      628-46-6 5-METHYL HEXANOIC ACID 98.0%
       
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-50800 5-METHYL HEXANOIC ACID
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      C750 5-Methyl Hexanoic Acid
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      M1142 5-Methylhexanoic Acid >98.0%(T)(GC)
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
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      Product(s):
      5-Methylhexanoic acid NI, Kosher

      Useful in cheese, butter, and fruit flavors. Not as "sweaty" as the lower C4-C5 fatty acids. Normal use levels in finished consumer product: 0.05-5 ppm.
       
       
Synonyms   Articles   Notes   Search
CAS Number: 628-46-6Picture of molecule3D/inchi
FDA UNII: N1AK4X34C2
Nikkaji Web: J95.660K
Beilstein Number: 1744722
MDL: MFCD00036494
CoE Number: 10142
XlogP3: 2.20 (est)
Molecular Weight: 130.18698000
Formula: C7 H14 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
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
JECFA Food Flavoring: 266  5-methylhexanoic acid
DG SANTE Food Flavourings: 08.061  5-methylhexanoic acid
FEMA Number: 3572 5-methylhexanoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):628-46-6 ; 5-METHYLHEXANOIC ACID
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90700 to 0.91700 @  25.00 °C.
Pounds per Gallon - (est).: 7.547 to  7.630
Refractive Index: 1.41700 to 1.42700 @  20.00 °C.
Melting Point: -25.00 °C. @ 760.00 mm Hg
Boiling Point: 90.00 °C. @ 5.00 mm Hg
Boiling Point: 216.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.058000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 2.070 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1776 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fatty
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: > 168 hour(s) at 100.00 %
 
 fatty  cheesy  oily  fruity  
Odor Description:
at 10.00 % in propylene glycol. 
fatty cheese oily fruity
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
5-METHYL HEXANOIC ACID ≥98.0%, Kosher
Odor Description: fatty, cheesy
Taste Description: fatty
Can be used in cheese, butter and in fruit flavors for a 'natural fruit' note.
 
R C Treatt & Co Ltd
5-Methylhexanoic acid NI, Kosher
Odor Description: Sour, fatty-cheese; Oily-fruity in dilution
Taste Description: fruity
Useful in cheese, butter, and fruit flavors. Not as "sweaty" as the lower C4-C5 fatty acids. Normal use levels in finished consumer product: 0.05-5 ppm.
 
 
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
5-METHYL HEXANOIC ACID
≥98.0%, Kosher
Odor: fatty, cheesy
Flavor: fatty
Can be used in cheese, butter and in fruit flavors for a 'natural fruit' note.
BOC Sciences
For experimental / research use only.
5-METHYL HEXANOIC ACID 98.0%
Penta International
5-METHYL HEXANOIC ACID
R C Treatt & Co Ltd
5-Methylhexanoic acid
NI, Kosher
Odor: Sour, fatty-cheese; Oily-fruity in dilution
Flavor: fruity
Useful in cheese, butter, and fruit flavors. Not as "sweaty" as the lower C4-C5 fatty acids. Normal use levels in finished consumer product: 0.05-5 ppm.
Sigma-Aldrich: Aldrich
For experimental / research use only.
5-Methylhexanoic Acid
Synerzine
5-Methyl Hexanoic Acid
TCI AMERICA
For experimental / research use only.
5-Methylhexanoic Acid >98.0%(T)(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
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 5-methyl hexanoic acid usage levels up to:
 not for fragrance use.
 
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: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: -5.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -5.00000
soft candy: --
soups: -3.00000
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 628-46-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12344
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3265
WGK Germany: 2
 5-methylhexanoic acid
Chemidplus: 0000628466
RTECS: MO8400900 for cas# 628-46-6
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References:
 5-methylhexanoic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 628-46-6
Pubchem (cid): 12344
Pubchem (sid): 134975831
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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
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB31595
FooDB: FDB008226
Export Tariff Code: 2915.90.1800
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 curcuma amada roxb. rhizome oilCS
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
2-methyl butyric acidFL/FR
anisic
 amyl furoateFL/FR
buttery
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
2,3-heptane dioneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
2-methyl-2-hexenoic acidFR
 hexanoic acidFL/FR
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
2-phenyl propyl isobutyrateFL/FR
fruity
isoamyl nonanoateFL/FR
 cyclohexyl carboxylic acidFL/FR
 dodecyl isobutyrateFL/FR
 filbert hexenoneFL/FR
(R)-(-)-2-heptanolFL/FR
4-heptanoneFL/FR
 hexyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 octyl octanoateFL/FR
 prenyl hexanoateFL/FR
 sorbyl butyrateFL/FR
green
3-heptanoneFL/FR
(E)-2-hexenalFL/FR
isopropyl decanoateFL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
5-methyl-3-heptanoneFL/FR
nutty
 nutty quinoxalineFL/FR
oily
 petal pyranoneFL/FR
popcorn
2-acetyl pyridineFL/FR
spicy
 cadinadiene 
waxy
2-methyl heptanoic acidFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
 amyl furoateFL/FR
 cadinadiene 
 dodecyl isobutyrateFL/FR
 ethyl cyclohexyl carboxylateFL
(E,E)-2,4-heptadien-1-olFL
2,4-heptadien-1-olFL
(R)-(-)-2-heptanolFL/FR
(Z)-3-hexenoic acidFL
 hexyl valerateFL/FR
4-methyl valeric acidFL
 octyl octanoateFL/FR
2-phenyl propyl isobutyrateFL/FR
 prenyl hexanoateFL/FR
isopropyl decanoateFL/FR
acidic
isobutyric acidFL/FR
(E)-2-hexenoic acidFL
bitter
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
buttery
2,3-heptane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
cheesy
 hexanoic acidFL/FR
corn
2-acetyl pyridineFL/FR
creamy
 acetoin butyrateFL
 butyl butyryl lactateFL/FR
2-methyl-4-pentenoic acidFL
dairy
4-pentenoic acidFL
fatty
 dimethyl sulfoxideFL
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
fermented
 methyl thio isovalerateFL
fruity
 cyclohexyl carboxylic acidFL/FR
(E)-2-decenoic acidFL
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
5-methyl-3-heptanoneFL/FR
 sorbyl butyrateFL/FR
green
(E)-2-hexenalFL/FR
ketonic
3-heptanoneFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
musty
S-(methyl thio) butyrateFL/FR
nutty
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
 petal pyranoneFL/FR
sour
 butyric acidFL/FR
2,4-dimethyl-2-pentenoic acidFL
3-methyl valeric acidFL
sulfurous
 methyl 4-(methyl thio) butyrateFL
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
2-methyl heptanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
winey
isoamyl nonanoateFL/FR
 
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Potential Uses:
 butterFL
 cheeseFL
 fatFL
 fruitFR
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Occurrence (nature, food, other): note
 mango fruit
Search Trop  Picture
 pork cooked pork
Search  PMC Picture
 strawberry wild strawberry fruit
Search Trop  Picture
 tea
Search Trop  Picture
 tobacco burley tobacco
Search  Picture
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Synonyms:
isoamyl acetic acid
isoamylacetic acid
isoenanthic acid
isoheptanoic acid
 hexanoic acid, 5-methyl-
5-methyl caproic acid
5-methyl hexylic acid
5-methyl-hexanoicacid
5-methylcaproic acid
5-methylhexanoic acid
5-methylhexylic acid
isovenanthic acid
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