We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

2-methyl hexanoic acid

Chemical Structure

General Material Information

Preferred name 2-methyl hexanoic acid
Trivial Name 2-Methylhexanoic acid
Short Description 2-methylhexanoic acid
Formula C7 H14 O2
CAS Number 4536-23-6
FEMA Number 3191
Flavis Number 8.035
ECHA Number 224-883-9
FDA UNII LUK37N0QM8
Nikkaji Number J108.732K
Beilstein Number 1721227
MDL MFCD00002674
COE Number 582
NMR Predictor External link
JECFA Food Flavoring 265 2-methylhexanoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4536-23-6 ; 2-METHYLHEXANOIC ACID
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
  • Caproic acid, α-methyl-
  • 2-Methylhexanoic acid
  • α-Methylcaproic acid
  • 2-Hexanecarboxylic acid
  • 2-Methylcaproic acid
  • (±)-2-Methylhexanoic acid

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

2-methylhexanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4536-23-6
Pubchem (cid):20653
Pubchem (sid):134984949
Publications by PubMed
Evaluation of an alternative in vitro test battery for detecting reproductive toxicants in a grouping context.
Cyclic depsipeptides, grassypeptolides D and E and Ibu-epidemethoxylyngbyastatin 3, from a Red Sea Leptolyngbya cyanobacterium.
Binding of α,α-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
Carriebowmide, a new cyclodepsipeptide from the marine cyanobacterium Lyngbya polychroa.
Natural organic compounds as alternative to methyl bromide for nematodes control.
Normal-phase chiral liquid chromatography-mass spectrometry of non-UV-active compounds: applications for pharmaceutically relevant racemates.
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.
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.
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.
Ulongamides A-F, new beta-amino acid-containing cyclodepsipeptides from Palauan collections of the marine cyanobacterium Lyngbya sp.
Kulokekahilide-1, a cytotoxic depsipeptide from the cephalaspidean mollusk Philinopsis speciosa.
Mechanisms of microenvironmental pH regulation in the cuticle of Ascaris suum.
The structure of manumycin. III. Absolute configuration and conformational studies.

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):HMDB31594
FooDB:FDB008224
Export Tariff Code:2915.90.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.555 to 7.614
Specific gravity @ 20 °C
Pounds per Gallon 7.614 to 7.648
Refractive Index 1.416 to 1.423 @ 20 °C
Boiling Point 209 to 210°C @ 760 mm Hg
Vapor Pressure 0.058 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 101.67 °C TCC
logP (o/w) 2.07 est
Solubility
alcohol Yes
ether Yes
water Yes
water, 1776 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Cheesy
fruity, cheesy, oily, fatty, lard, acidic, chicken, chicken fat, roasted, savory
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 24 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. fruity cheese oily fatty lard
Mosciano, Gerard P&F 19, No. 4, 45, (1994) Acidic, oily, fatty, lard and chicken fat with roasted and roasted savory nuances
Flavor Type: Oily
oily, creamy, dairy, fatty
Mosciano, Gerard P&F 19, No. 4, 45, (1994) At 40.00 ppm. Oily, creamy, dairy and fatty
All types of dairy flavors, especially cheese and milk. Acidic, cheese, milk
Used in cheesy flavours for bakery and soft confection at 5ppm, and non-alcoholic beverages at 1ppm. Oily, creamy, dairy and fatty
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. Very interesting combination of cheesy, creamy and fruity notes

Occurrences

Potential Uses

Applications
Odor purposes Berry, Kiwi, Passion fruit, Raspberry
Flavoring purposes Cheese, Dairy, Fat chicken fat, Fruit tropical fruit, Lard, Savory

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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