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butyl lactate
General Material Information
| Preferred name | butyl lactate |
| Trivial Name | Butyl lactate |
| Short Description | propanoic acid, 2-hydroxy-, butyl ester |
| Formula | C7 H14 O3 |
| CAS Number | 138-22-7 |
| Deleted CAS Number | 126872-21-7 |
| FEMA Number | 2205 |
| Flavis Number | 9.434 |
| ECHA Number | 205-316-4 |
| FDA UNII | 0UI63W814U |
| Nikkaji Number | J39.933G |
| Beilstein Number | 1721597 |
| MDL | MFCD00004519 |
| COE Number | 372 |
| xLogP3-AA | 1.10 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 932 butyl lactate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 138-22-7 ; BUTYL LACTATE |
| 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
| butyl 2-hydroxypropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 138-22-7 |
| Pubchem (cid): | 8738 |
| Pubchem (sid): | 134973918 |
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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40254 |
| FooDB: | FDB019971 |
| Export Tariff Code: | 2918.19.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grade: technical, 95% min. •the commercial grade contains condensation products and its physical and chemical properties will vary | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 146.18617248535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.096 to 8.196 |
| Refractive Index | 1.418 to 1.422 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.4 mmHg @ 20 °C |
| Flash Point TCC Value | 69.44 °C TCC |
| logP (o/w) | 0.98 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 |
| paraffin oil | Yes |
| water, 4.00E+04 mg/L @ 20 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Green | |
| green, fruity, apple, kiwi, melon rind, lactonic, waxy, winey, apple skin, soapy, creamy, dairy, milky, earthy, ketonic, vanilla, cheesy | |
| Odor strength | medium |
| Substantivity | 126 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. green fruity apple kiwi melon rind lactonic waxy winey apple skin soapy |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | Creamy, dairy, milky, earthy, ketonic, waxy, lactonic, vanilla and cheesy |
| Flavor Type: Green | |
| green, fruity, apple skin, melon rind, banana peel, tropical, winey, creamy, waxy, soapy, dairy, milky, coconut, nutty | |
| Luebke, William tgsc, (2021) | Green fruity apple skin melon rind banana peel tropical winey creamy waxy soapy |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | At 20.00 ppm. Dairy, creamy, milky, coconut and nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coconut , Cream , Toffee , Vanilla |
| Flavoring purposes | Caramel , Fat , Milk , Nut |
| Cosmetic purposes | Fragrance , Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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. | |
| 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. | |
| Human Experience: | |
| 1 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979. oral-rabbit LD50 > 5000 mg/kg International Journal of Toxicology. Vol. 17 oral-rabbit LD50 > 5000 mg/kg International Journal of Toxicology. Vol. 17(Suppl | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979. subcutaneous-rat LD50 12000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979. subcutaneous-mouse LDLo 11000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979. subcutaneous-rat LD50 12000 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 15, 1974. | |
| 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 butyl lactate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 320.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 24.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 7.70000 | |
| beverages(nonalcoholic): | - | 0.66000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.80000 | |
| fruit ices: | - | 2.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.50000 | |
| 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 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf |
| EPI System: View |
| NIOSH Pocket Guide:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):138-22-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8738 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| butyl 2-hydroxypropanoate |
| Chemidplus:0000138227 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:138-22-7 |