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ethyl vanillin
General Material Information
| Preferred name | ethyl vanillin |
| Trivial Name | Ethylvanillin |
| Short Description | 4-hydroxy-3-ethoxybenzaldehyde |
| Formula | C9 H10 O3 |
| CAS Number | 121-32-4 |
| FEMA Number | 2464 |
| ECHA Number | 204-464-7 |
| FDA UNII | YC9ST449YJ |
| Nikkaji Number | J2.006K |
| Beilstein Number | 1073761 |
| MDL | MFCD00006944 |
| COE Number | 108 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 893 ethyl vanillin |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 121-32-4 ; ETHYL VANILLIN |
| 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
| 3-ethoxy-4-hydroxybenzaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 121-32-4 |
| Pubchem (cid): | 8467 |
| Pubchem (sid): | 134975544 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | D01086 |
| HMDB (The Human Metabolome Database): | HMDB29665 |
| FooDB: | FDB000841 |
| YMDB (Yeast Metabolome Database): | YMDB01687 |
| Export Tariff Code: | 2912.49.2600 |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 166.17630004883 |
| Melting Point | 76 to 78°C @ 760 mm Hg |
| Boiling Point | 285 to 294°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 145 °C TCC |
| logP (o/w) | 1.58 |
| 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 | |
| chloroform | Yes |
| ethyl alcohol, 1gm. in 3cc of 95% alcohol at 32°F | Yes |
| ethyl alcohol, 2 vol. 95% alcohol | Yes |
| ethyl alcohol, 4.81 g. in 100ml. 80% propylene glycol/ 20% water by volume at 77 | Yes |
| fixed oils | Yes |
| glycerin | Yes |
| propylene glycol | Yes |
| water, 2867 mg/L @ 25 °C (est) | Yes |
| water, 2820 mg/L @ 25 °C (exp) | Yes |
| paraffin oil | No |
| Stability | |
| cream | Unspecified |
| hair spray | Unspecified |
| lipstick | Unspecified |
| lotion | Unspecified |
| powder | Unspecified |
| store in cool place in sealed containers | Unspecified |
Organoleptic Properties
| Odor Type: Vanilla | |
| sweet, creamy, vanilla, caramellic, root beer | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 400 hour(s) at 20.00 % in dipropylene glycol |
| Luebke, William tgsc, (1982) | At 10.00 % in dipropylene glycol. sweet creamy vanilla caramel |
| Mosciano, Gerard P&F 18, No. 4, 51, (1993) | Sweet, creamy, vanilla, with a root berry salicylate-like nuance |
| Flavor Type: Vanilla | |
| sweet, creamy, vanilla, caramellic | |
| Mosciano, Gerard P&F 18, No. 4, 51, (1993) | At 50.00 ppm. Sweet, creamy, vanilla, smooth and caramellic |
| General comment | Sweet, aromatic, caramel |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. 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 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Acute aquatic toxicity (Category 3), H402 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H402 - Harmful to aquatic life H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P321 - Specific treatment (see supplemental first aid instructions on this label). P330 - Rinse mouth. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M,F] > 2000 mg/kg (Jenner et al., 1964) gavage-rat LD50 [sex: M] 4470 mg/kg (Rhône-Poulenc, Inc., 1992b) oral-rat LD50 [sex: M,F] 3500 mg/kg Administered as a 10% solution in corn oil. (Monsanto Co., 1991a) oral-rat LD50 [sex: M,F] 3500 mg/kg Administered as a 20% solution-suspension in corn oil. (Monsanto Co., 1991b) gavage-rabbit LD50 2000 mg/kg (Deichmann & Kitzmiller, 1940) intravenous-dog LDLo 760 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 238, Pg. 2576, 1954. intraperitoneal-guinea pig LD50 1140 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 238, Pg. 2576, 1954. intraperitoneal-mouse LD50 750 mg/kg Clinical Toxicology. Vol. 10, Pg. 61, 1977. oral-rabbit LDLo 3000 mg/kg Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 425, 1940. oral-rat LD50 1590 mg/kg FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 39, 1967. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 7940 mg/kg National Technical Information Service. Vol. OTS0534355 subcutaneous-rat LDLo 1800 mg/kg Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 425, 1940. | |
| 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 ethyl vanillin usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 5400.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 43000.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 63.00000 | |
| beverages(nonalcoholic): | - | 20.00000 | |
| beverages(alcoholic): | - | 100.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 110.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 140.00000 | 200.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 47.00000 | |
| fruit ices: | - | 47.00000 | |
| gelatins / puddings: | - | 74.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 65.00000 | |
| 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
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):121-32-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8467 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 3-ethoxy-4-hydroxybenzaldehyde |
| Chemidplus:0000121324 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:CU6125000 for cas# 121-32-4 |