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hexyl 2-methyl butyrate
General Material Information
| Preferred name | hexyl 2-methyl butyrate |
| Trivial Name | Hexyl 2-methylbutanoate |
| Short Description | hexyl 2-methylbutyrate |
| Formula | C11 H22 O2 |
| CAS Number | 10032-15-2 |
| Deleted CAS Number | 144810-17-3 |
| FEMA Number | 3499 |
| ECHA Number | 233-106-2 |
| FDA UNII | UI17LL5Q4P |
| Nikkaji Number | J77.603C |
| Beilstein Number | 1856407 |
| MDL | MFCD00048880 |
| COE Number | 4132 |
| xLogP3-AA | 3.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 208 hexyl 2-methylbutanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 10032-15-2 ; HEXYL 2-METHYLBUTYRATE |
| 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
| hexyl 2-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 10032-15-2 |
| Pubchem (cid): | 24838 |
| Pubchem (sid): | 134990484 |
| Flavornet: | 10032-15-2 |
| Pherobase: | View |
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): | HMDB39215 |
| FooDB: | FDB018747 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.106 to 7.148 |
| Refractive Index | 1.416 to 1.421 @ 20 °C |
| Boiling Point | 203 to 204°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.158 mmHg @ 25 °C |
| Vapor Density | 6.4 |
| Flash Point TCC Value | 83.89 °C TCC |
| logP (o/w) | 4.196 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| water, very slightly | Yes |
| water, 12.56 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, waxy, fruity, apple, spicy, tropical, banana, woody | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1999) | At 100.00 %. green waxy fruity apple spicy tropical |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | Green, waxy, fruity, apple, banana and woody with a tropical, spicy nuance |
| Flavor Type: Green | |
| green, waxy, fruity, apple, banana, fresh, fleshy | |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | At 20.00 ppm. Green, waxy, unripe fruity, apple and banana with a fresh, fleshy nuance |
| Can be used in apple, pear, banana, tropical, strawberry, raspberry and blueberry flavors for a fresh, long-lasting fruitiness. | Green waxy |
| General comment | Green strawberry also used in reconstituted essential oils and in berries |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno,1977b) oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 721, 1982. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 721, 1982. | |
| 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 hexyl 2-methyl butyrate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.10 (μg/capita/day) | ||
| 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 51.60000 | |
| beverages(nonalcoholic): | - | 18.70000 | |
| beverages(alcoholic): | - | 7.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.34000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 36.70000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 21.80000 | |
| fruit ices: | - | 21.80000 | |
| gelatins / puddings: | - | 31.30000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10032-15-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :24838 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3077 |
| WGK Germany:2 |
| hexyl 2-methylbutanoate |
| Chemidplus:0010032152 |
| RTECS:ET5675000 for cas# 10032-15-2 |