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

2-methyl hexanoic acid
2-methylhexanoic acid

Supplier Sponsors

Name:2-methylhexanoic acid
CAS Number: 4536-23-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-883-9
FDA UNII:LUK37N0QM8
Nikkaji Web:J108.732K
Beilstein Number:1721227
MDL:MFCD00002674
CoE Number:582
XlogP3:2.30 (est)
Molecular Weight:130.18698000
Formula:C7 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:265 2-methylhexanoic acid
FLAVIS Number:08.035 (Old)
DG SANTE Food Flavourings:08.035 2-methylhexanoic acid
FEMA Number:3191 2-methylhexanoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4536-23-6 ; 2-METHYLHEXANOIC ACID
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90800 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.555 to 7.614
Specific Gravity:0.91400 to 0.91800 @ 20.00 °C.
Pounds per Gallon - est.: 7.614 to 7.648
Refractive Index:1.41600 to 1.42300 @ 20.00 °C.
Boiling Point: 209.00 to 210.00 °C. @ 760.00 mm Hg
Boiling Point: 105.00 °C. @ 5.00 mm Hg
Vapor Pressure:0.058000 mmHg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 2.070 (est)
Soluble in:
 alcohol
 ether
 water
 water, 1776 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: cheesy
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 24 hour(s) at 100.00 %
fruity cheesy oily fatty lard
Odor Description:at 10.00 % in dipropylene glycol. fruity cheese oily fatty lard
acidic oily fatty lard chicken chicken fat fatty roasted savory
Odor Description:Acidic, oily, fatty, lard and chicken fat with roasted and roasted savory nuances
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Flavor Type: oily
oily creamy dairy fatty
Taste Description: at 40.00 ppm. Oily, creamy, dairy and fatty
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2-METHYL HEXANOIC ACID ≥99.0%, Kosher
Odor Description:pleasant, cheese-like
Used sparingly in fragrances for sour cheesy note.
Taste Description:Acidic, cheese, milk
All types of dairy flavors, especially cheese and milk.
R C Treatt & Co Ltd
2-Methylhexanoic acid Halal, Kosher
Odor Description:fruity and cheese-like
Taste Description:Oily, creamy, dairy and fatty
Used in cheesy flavours for bakery and soft confection at 5ppm, and non-alcoholic beverages at 1ppm.
Firmenich
2-METHYLHEXANOIC ACID min. 98%, Kosher, Halal
Taste Description:Very interesting combination of cheesy, creamy and fruity notes
2-METHYLHEXANOIC ACID has a unique profile with a great combination of cheese and fruit characteristics which work perfectly in either savory or sweet applications.
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
2-Methyl hexanoic acid
Bedoukian Research
2-METHYL HEXANOIC ACID
≥99.0%, Kosher
Odor: pleasant, cheese-like
Use: Used sparingly in fragrances for sour cheesy note.
Flavor: Acidic, cheese, milk
All types of dairy flavors, especially cheese and milk.
Beijing Lys Chemicals
2-Methyl hexanoic acid
BOC Sciences
For experimental / research use only.
2-METHYL HEXANOIC ACID 99.0%
CJ Latta & Associates
2-METHYL HEXANOIC ACID
Endeavour Specialty Chemicals
2-Methylhexanoic acid 97% F&F
Speciality Chemical Product Groups
Ernesto Ventós
2-METHYLHEXANOIC ACID FIRMENICH 963264
Odor: CHEESY, CREAMY, FRUITY
Firmenich
2-METHYLHEXANOIC ACID
min. 98%, Kosher, Halal
Flavor: Very interesting combination of cheesy, creamy and fruity notes
2-METHYLHEXANOIC ACID has a unique profile with a great combination of cheese and fruit characteristics which work perfectly in either savory or sweet applications.
Lluch Essence
2-METHYL HEXANOIC ACID
M&U International
2-METHYLHEXANOIC ACID, Kosher
Nagar Haveli Perfumes & Aromatics
2-Methyl Hexanoic Acid
Odor: Acidic, oily, fatty, lard and chicken fat with roasted and roasted savory nuances
Penta International
2-METHYLHEXANOIC ACID
R C Treatt & Co Ltd
2-Methylhexanoic acid
Halal, Kosher
Odor: fruity and cheese-like
Flavor: Oily, creamy, dairy and fatty
Used in cheesy flavours for bakery and soft confection at 5ppm, and non-alcoholic beverages at 1ppm.
Robinson Brothers
2-Methylhexanoic acid F&F
https://www.robinsonbrothers.uk/chemistry-competences
Shanghai Vigen Fine Chemical
2-Methyl Hexanoic Acid
Sigma-Aldrich
2-Methylhexanoic acid, ≥99%, FG
Certified Food Grade Products
Synerzine
2-Methyl Hexanoic Acid
TCI AMERICA
For experimental / research use only.
2-Methylhexanoic Acid >98.0%(GC)(T)
United International
2-Methylhexanoic acid
WholeChem
2-Methyl hexanoic acid
 
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: flavor and fragrance agents
Recommendation for 2-methyl hexanoic acid usage levels up to:
  0.0500 % in the fragrance concentrate.
 
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: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: -2.00000
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: -2.00000
granulated sugar: --
gravies: --
hard candy: -3.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):4536-23-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20653
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:2
2-methylhexanoic acid
Chemidplus:0004536236
RTECS:MO8400600 for cas# 4536-23-6
 
References:
 2-methylhexanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4536-23-6
Pubchem (cid):20653
Pubchem (sid):134984949
 
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 Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31594
FooDB:FDB008224
Export Tariff Code:2915.90.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
iso
valeraldehyde diethyl acetal
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
caramellic
levulinic acid
FL/FR
cheesy
butyric acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
iso
valeric acid
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
earthy
3-
octanol
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl cyclohexyl hexanoate
FL/FR
butter esters
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
(Z)-
dairy lactone
FL/FR
(Z)-
ethyl oleate
FL/FR
hexanoic acid
FL/FR
octanoic acid
FL/FR
(Z)-3-
octen-1-ol
FL/FR
perilla seed oil
FL/FR
sorbitan oleate
CS
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
octanal / methyl anthranilate schiff's base
FR
2-
pentadecanone
FL/FR
fruity
butyl 2-decenoate
FL/FR
cyclohexyl carboxylic acid
FL/FR
dodecyl isobutyrate
FL/FR
filbert hexenone
FL/FR
(R)-(-)-2-
heptanol
FL/FR
4-
heptanone
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
octyl heptanoate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
3-
heptanone
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexenal
FL/FR
hexyl tiglate
FL/FR
neryl butyrate
FL/FR
herbal
benzyl octanoate
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
mushroom
(S)-(+)-2-
heptanol
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
amyl laurate
FL/FR
butter acids
FL/FR
petal pyranone
FL/FR
sulfurous
fish thiol
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
butyl laurate
FL/FR
9-
decenoic acid
FL/FR
5(6)-
decenoic acid
FL/FR
ethyl laurate
FL/FR
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
woody
nopyl aldehyde
FR
For Flavor
No flavor group found for these
allyl cyclohexyl hexanoate
FL/FR
amyl laurate
FL/FR
benzyl methyl sulfide
FL
benzyl octanoate
FL/FR
iso
butyl amine
FL
iso
butyl undecylenate
FL/FR
decyl propionate
FL/FR
dodecyl isobutyrate
FL/FR
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2,4-
heptadien-1-ol
FL
(S)-(+)-2-
heptanol
FL/FR
(R)-(-)-2-
heptanol
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
3-
methyl-2-cyclopenten-1-one
FL
octyl heptanoate
FL/FR
perilla seed oil
FL/FR
prenyl hexanoate
FL/FR
valeraldehyde diethyl acetal
FL
iso
valeraldehyde diethyl acetal
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
levulinic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
bitter
glyceryl tributyrate
FL
(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
caramellic
creme brulee flavor
FL
pyruvaldehyde
FL
cheesy
hexanoic acid
FL/FR
iso
valeric acid
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
creamy
acetoin
FL/FR
acetoin butyrate
FL
acetyl butyryl
FL/FR
butter esters
FL/FR
butyl butyryl lactate
FL/FR
custard flavor
FL
5(6)-
decenoic acid
FL/FR
delta-
dodecalactone
FL/FR
2-
methyl-4-pentenoic acid
FL
triacetin
FL
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
dairy
butyl lactate
FL/FR
4-
pentenoic acid
FL
eggy
iso
propyl mercaptan
FL
fatty
butter acids
FL/FR
coconut absolute
FL/FR
(Z)-
dairy lactone
FL/FR
diacetyl trimer
FL
dimethyl sulfoxide
FL
(Z)-
ethyl oleate
FL/FR
4-
methyl nonanoic acid
FL/FR
nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
(Z)-3-
octen-1-ol
FL/FR
(E)-2-
octenoic acid
FL
2-
pentadecanone
FL/FR
fermented
methyl thio isovalerate
FL
fruity
blueberry cheesecake flavor
FL
butyl 2-decenoate
FL/FR
cyclohexyl carboxylic acid
FL/FR
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
sorbyl butyrate
FL/FR
green
(Z)-4-
hepten-1-ol
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexenal
FL/FR
hexyl tiglate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
neryl butyrate
FL/FR
2,4-
octadienal
FL
ketonic
3-
heptanone
FL/FR
meaty
meaty dithiane
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-
methyl-3-tetrahydrofuran thiol
FL
milky
gamma-
butyrolactone
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
3-
octanol
FL/FR
nutty
arachis hypogaea fruit extract
FL
nutty quinoxaline
FL/FR
oily
petal pyranone
FL/FR
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
fish thiol
FL/FR
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
vanilla
ice cream flavor
FL
waxy
butyl laurate
FL/FR
epsilon-
decalactone
FL/FR
9-
decenoic acid
FL/FR
ethyl laurate
FL/FR
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FRberry
FLcheese
FLdairy
FLfat chicken fat
FLfruit tropical fruit
FRkiwi
FLlard
FRpassion fruit
FRraspberry
FLsavory
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 cheese parmesan cheese
Search PMC Picture
 cognac
Search PMC Picture
 lamb
Search PMC Picture
 lamb cooked lamb
Search PMC Picture
 potato baked potato
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 tea black tea
Search Trop Picture
 wine
Search Picture
 
Synonyms:
2-butylpropionic acid
2-hexane carboxylic acid
2-hexanecarboxylic acid
 hexanoic acid, 2-methyl-
2-methyl caproic acid
alpha-methyl caproic acid
2-methylcaproic acid
a-methylcaproic acid
2-methylhexanoic acid
2-methylhexanoicacid
 

Articles:

PubMed:Evaluation of an alternative in vitro test battery for detecting reproductive toxicants in a grouping context.
PubMed:Cyclic depsipeptides, grassypeptolides D and E and Ibu-epidemethoxylyngbyastatin 3, from a Red Sea Leptolyngbya cyanobacterium.
PubMed:Binding of α,α-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
PubMed:Carriebowmide, a new cyclodepsipeptide from the marine cyanobacterium Lyngbya polychroa.
PubMed:Natural organic compounds as alternative to methyl bromide for nematodes control.
PubMed:Normal-phase chiral liquid chromatography-mass spectrometry of non-UV-active compounds: applications for pharmaceutically relevant racemates.
PubMed:Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
PubMed:Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.
PubMed:Isolation and structure determination of lyngbyastatin 3, a lyngbyastatin 1 homologue from the marine cyanobacterium Lyngbya majuscula. Determination of the configuration of the 4-amino-2,2-dimethyl-3-oxopentanoic acid unit in majusculamide C, dolastatin 12, lyngbyastatin 1, and lyngbyastatin 3 from cyanobacteria.
PubMed:Synthesis of (R)-2-methyl-4-deoxy and (R)-2-methyl-4,5-dideoxy analogues of 6-phosphogluconate as potential inhibitors of 6-phosphogluconate dehydrogenase.
PubMed:Ulongamides A-F, new beta-amino acid-containing cyclodepsipeptides from Palauan collections of the marine cyanobacterium Lyngbya sp.
PubMed:Kulokekahilide-1, a cytotoxic depsipeptide from the cephalaspidean mollusk Philinopsis speciosa.
PubMed:Mechanisms of microenvironmental pH regulation in the cuticle of Ascaris suum.
PubMed:The structure of manumycin. III. Absolute configuration and conformational studies.
 
Notes:
Used as a food additive [EAFUS]
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