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5-methyl hexanoic acid
5-methylhexanoic acid

Supplier Sponsors

Name:5-methylhexanoic acid
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
FLAVIS Number:08.061 (Old)
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: 5-METHYLHEXANOIC ACID
 
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 mm/Hg @ 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)
 
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.
 
Cosmetic Information:
None found
 
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%
Endeavour Specialty Chemicals
5-Methylhexanoic acid 98% F&F
Speciality Chemical Product Groups
Penta International
5-METHYL HEXANOIC ACID, Kosher
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.
Robinson Brothers
5-Methylhexanoic acid F&F
https://www.robinsonbrothers.uk/chemistry-competences
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)
 
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
 
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
 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: --
 
Safety References:
EPI System: View
NLM Developmental and Reproductive Toxicity:Search
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
 
References:
 5-methylhexanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:628-46-6
Pubchem (cid):12344
Pubchem (sid):134975831
 
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
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
curcuma amada roxb. rhizome oil
CS
acidic
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
anisic
amyl furoate
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
fatty
hexanoic acid
FL/FR
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
iso
amyl nonanoate
FL/FR
cyclohexyl carboxylic acid
FL/FR
dodecyl isobutyrate
FL/FR
filbert hexenone
FL/FR
(R)-(-)-2-
heptanol
FL/FR
4-
heptanone
FL/FR
hexyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
octyl octanoate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
green
3-
heptanone
FL/FR
(E)-2-
hexenal
FL/FR
iso
propyl decanoate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
5-
methyl-3-heptanone
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
petal pyranone
FL/FR
popcorn
2-
acetyl pyridine
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
amyl furoate
FL/FR
dodecyl isobutyrate
FL/FR
ethyl cyclohexyl carboxylate
FL
2,4-
heptadien-1-ol
FL
(E,E)-2,4-
heptadien-1-ol
FL
(R)-(-)-2-
heptanol
FL/FR
(Z)-3-
hexenoic acid
FL
hexyl valerate
FL/FR
4-
methyl valeric acid
FL
octyl octanoate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
prenyl hexanoate
FL/FR
iso
propyl decanoate
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
bitter
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
hexanoic acid
FL/FR
corn
2-
acetyl pyridine
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
fatty
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fruity
cyclohexyl carboxylic acid
FL/FR
(E)-2-
decenoic acid
FL
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
5-
methyl-3-heptanone
FL/FR
sorbyl butyrate
FL/FR
green
(E)-2-
hexenal
FL/FR
ketonic
3-
heptanone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
petal pyranone
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
FLbutter
FLcheese
FLfat
 fruit
 
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
 
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
 
 
Notes:
Present in heated pork, strawberry and tea
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