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2-methyl hexanoic acid
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 |
|
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 |
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 |
Suppliers
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
| (data available) |
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 ppm | average 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 |