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4-methyl octanoic acid
General Material Information
| Preferred name | 4-methyl octanoic acid |
| Trivial Name | 4-Methyloctanoic acid |
| Short Description | 4-methyloctanoic acid |
| Formula | C9 H18 O2 |
| CAS Number | 54947-74-9 |
| FEMA Number | 3575 |
| Flavis Number | 8.063 |
| ECHA Number | 259-404-2 |
| FDA UNII | 5545264N9R |
| Nikkaji Number | J267.356H |
| MDL | MFCD00051938 |
| COE Number | 11926 |
| xLogP3-AA | 3.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 271 4-methyloctanoic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 54947-74-9 ; 4-METHYLOCTANOIC 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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB31557 |
| FooDB: | FDB008170 |
| Export Tariff Code: | 2915.90.1800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 158.24085998535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.514 to 7.63 |
| Refractive Index | 1.428 to 1.44 @ 20 °C |
| Boiling Point | 120 to 122°C @ 2 mm Hg |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Vapor Density | 5.4 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 3.089 est |
| Solubility | |
| alcohol | Yes |
| water, 195.5 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fatty | |
| fatty, waxy, musty, plastic, dairy, creamy, milky, lactonic | |
| General comment | At 10.00 % in propylene glycol. fatty waxy musty plastic dairy creamy milk |
| Mosciano, Gerard P&F 19, No. 4, 45, (1994) | Waxy, fatty, dairy, creamy, milky and lactonic |
| Flavor Type: Fatty | |
| fatty, waxy, creamy, lactonic, metallic | |
| Mosciano, Gerard P&F 19, No. 4, 45, (1994) | At 20.00 ppm. Fatty, waxy, creamy and lactonic with metallic nuances |
| 4-Methyloctanoic acid is one of the acids mainly responsible for the so-called "soo" odour of mutton. The analogue 4-Ethyloctanoic acid (found in Virginia tobacco and Costus root oil) also has a related goaty odor; this analog has the lowest threshold of all the fatty acids at 1.8 ppb. 4-Methyloctanoic acid is used in flavours for cheese, meat, tobacco and (possibly) fish. Normal use levels in finished consumer product: up to 3 ppm. | Fatty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Tobacco |
| Flavoring purposes | Butter , Cheese , Cream , Dairy , Fish , Lamb , Meat , Milk , Tea |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
| R 34 - Causes burns. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 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 | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 4-methyl octanoic acid usage levels up to: | |||
| 0.0200 % 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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | 3.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.15000 | |
| granulated sugar: | - | - | |
| gravies: | - | 0.15000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.15000 | |
| milk products: | - | 3.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 3.00000 | |
| soft candy: | - | - | |
| soups: | - | 0.15000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):54947-74-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62089 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3265 |
| WGK Germany:1 |
| 4-methyloctanoic acid |
| Chemidplus:0054947749 |