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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 |
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| 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 |