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isoeugenol
General Material Information
| Preferred name | isoeugenol |
| Trivial Name | Isoeugenol |
| Short Description | 2-methoxy-4-(1-methylvinyl)phenol |
| Formula | C10 H12 O2 |
| CAS Number | 97-54-1 |
| FEMA Number | 2468 |
| Flavis Number | 4.004 |
| ECHA Number | 202-590-7 |
| FDA UNII | 5M0MWY797U |
| Beilstein Number | 1909602 |
| MDL | MFCD00009285 |
| COE Number | 172 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1260 isoeugenol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 97-54-1 ; ISOEUGENOL |
| 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-methoxy-4-prop-1-en-2-ylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 97-54-1 |
| Pubchem (cid): | 2723653 |
| Pubchem (sid): | 134970634 |
| Flavornet: | 97-54-1 |
| 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 |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C10469 |
| HMDB (The Human Metabolome Database): | HMDB05802 |
| FooDB: | FDB002728 |
| Export Tariff Code: | 2909.50.4010 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 164.20404052734 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.978 to 9.045 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.997 to 9.064 |
| Refractive Index | 1.572 to 1.578 @ 20 °C |
| Melting Point | 14 to 18°C @ 760 mm Hg |
| Boiling Point | 125 to 126°C @ 14 mm Hg |
| Boiling Point | 266 to 267°C @ 760 mm Hg |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.04 |
| Solubility | |
| fixed oils | Yes |
| kerosene | Yes |
| paraffin oil, cloudy | Yes |
| water, 165.9 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| water | No |
Organoleptic Properties
| Odor Type: Spicy | |
| sweet, spicy, clove, woody, allspice, carnation, floral | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. sweet spicy clove woody allspice carnation floral |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | Sweet spicy, clove-like odor with a woody nuance |
| Flavor Type: Spicy | |
| spicy, clove, allspice, woody, aromatic, pimenta, nutmeg, phenolic, sweet | |
| Luebke, William tgsc, (1985) | Spicy clove allspice woody aromatic pimenta nutmeg phenolic |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | At 10.00 ppm. Sweet spice and clove with woody and phenolic nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Abronia, Acacia, Aldehydic, Amber, Apple, Apple blossom, Apricot, Banana, Bay rum, Bouquet, Carnation, Champaca, Cherry, Christmas, Clove, Coconut, Coconut tropical coconut, Coffee, Floral, Gardenia, Gooseberry, Grape, Honey, Honeysuckle, Hovenia, Japan flowers, Jonquil, Leather, Lilac, Mimosa, Myrrh, Nutmeg, Orange, Orange blossom, Orchid, Oriental, Plum, Plum blossom, Poppy red poppy, Raspberry, Reseda, Rose, Rose white rose, Sandalwood, Sherry, Spice, Strawberry, Tonka bean, Tuberose, Vanilla, Violet, Wallflower, Wine, Woodruff, Woody, Ylang ylang |
| Flavoring purposes | Bacon, Beer, Tropical |
| Other purposes | Bellodgia, Chanel #5, Fixer, Horse guard's bouquet, Monimia, My sin, Oral care agents |
| Cosmetic purposes | Flavoring agents, Perfuming agents |
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. R 43 - May cause sensitisation by skin contact. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| 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. P272 - Contaminated work clothing should not be allowed out of the workplace. 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. P330 - Rinse mouth. P333 + P313 - IF SKIN irritation or rash 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. | |
| Human Experience: | |
| Causes irritation and sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 1560 mg/kg (Jenner et al., 1964) oral-guinea pig LD50 [sex: M,F] 1410 mg/kg (Jenner et al., 1964) oral-rat LD50 [sex: M,F] 286 mg/kg (Piccirillo, 1984b) oral-guinea pig LD50 1410 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-mouse LD50 328 mg/kg Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. oral-rat LD50 1560 mg/kg BEHAVIORAL: COMA Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. | |
| 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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization and systemic toxicity | |||
| IFRA fragrance material specification: | |||
| Should not be used such that the level in finished cosmetic products exceeds 0.02%. Based on test results showing sensitising potential (IFRA guidelines). | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.019 % | |||
| Category 2: Products applied to the axillae | |||
| 0.0057 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.12 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.11 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.027 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.027 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.027 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.0090 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.063 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.22 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.22 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.0090 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.21 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.21 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.75 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.0090 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.0090 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 99.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 43.00 (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: | - | 11.00000 | |
| beverages(nonalcoholic): | - | 3.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.30000 | 1000.00000 | |
| condiments / relishes: | - | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.80000 | |
| fruit ices: | - | 3.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| 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): |
| Flavouring Group Evaluation 30 (FGE.30): 2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 30, Revision 1 (FGE.30Rev1): 4-Prop-1-enylphenol and 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 View page or View pdf |
| Scientific Opinion on the safety and efficacy of propenylhydroxybenzenes (chemical group 17) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| Daily Med:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):97-54-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :2723653 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:2 |
| 2-methoxy-4-prop-1-en-2-ylphenol |
| Chemidplus:0000097541 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:SL7875000 for cas# 97-54-1 |