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para-anisyl alcohol
General Material Information
| Preferred name | para-anisyl alcohol |
| Trivial Name | 4-Methoxybenzyl alcohol |
| Short Description | 4-methoxybenzyl alcohol |
| Formula | C8 H10 O2 |
| CAS Number | 105-13-5 |
| Deleted CAS Number | 185532-75-6 |
| FEMA Number | 2099 |
| Flavis Number | 2.128 |
| ECHA Number | 203-273-6 |
| FDA UNII | 7N6XGV3U49 |
| Nikkaji Number | J4.028B |
| Beilstein Number | 0636654 |
| MDL | MFCD00004653 |
| COE Number | 66 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 871 anisyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-13-5 ; ANISYL ALCOHOL |
| 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
| (4-methoxyphenyl)methanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-13-5 |
| Pubchem (cid): | 7738 |
| Pubchem (sid): | 134970843 |
| Flavornet: | 105-13-5 |
| 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 |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB34241 |
| FooDB: | FDB012554 |
| Export Tariff Code: | 2909.49.1500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 138.16610717773 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.22 to 9.286 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 9.239 to 9.305 |
| Refractive Index | 1.542 to 1.546 @ 20 °C |
| Melting Point | 23 to 25°C @ 760 mm Hg |
| Boiling Point | 259 to 260°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.0038 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 1.1 |
| 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 | |
| benzyl alcohol | Yes |
| ethyl alcohol, 1 vol of 50% alcohol | Yes |
| fixed oils | Yes |
| water, 2000 mg/L @ 20 °C (exp) | Yes |
| paraffin oil | No |
| Stability | |
| cream | Unspecified |
| detergent | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
Organoleptic Properties
| Odor Type: Powdery | |
| sweet, powdery, hawthorn, lilac, rose, floral, hyacinth, creamy, balsamic, coumarinic, lactonic, cherry, licorice | |
| Odor strength | medium |
| Substantivity | 82 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 100.00 %. sweet powdery hawthorn lilac rose floral hyacinth |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 5.00 %. Sweet, powdery creamy, balsamic, coumarin and slightly lactonic, cherry and licorice nuance |
| Flavor Type: Fruity | |
| cherry, vanilla, creamy, cocoa, licorice, anise | |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 10.00 ppm. Cherry, vanilla, creamy nuances, cocoa, licorice, anise |
| General comment | Spice anise vanilla balsam powdery |
| Useful in: brown nuts, brown cocoa, dairy, vanilla, savory spices, fruity red, fruity others, sweet others, alcoholics. | Sweet, coumarin, vanilla, creamy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Anise, Apple blossom, Apricot, Banana, Carnation, Cassia, Cherry, Chocolate, Chypre, Clover, Coconut tropical coconut, Cream, Fern, Floral, Florida breeze, Gardenia, Genet, Ginger white ginger, Gingerbread, Hawthorn, Hay new mown hay, Heather, Heliotrope, Honeysuckle, Hyacinth, Jasmin, Licorice, Lilac, Lily, Lily of the valley, Linden flower, Lotus, Mimosa, Orange, Peach, Powder, Sherry, Sweet grass, Sweet pea, Tuberose, Vanilla, Violet, Wallflower, Wine, Ylang ylang |
| Flavoring purposes | Chocolate cocoa |
| Cosmetic purposes | 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 41 - Risk of serious damage to eyes. R 43 - May cause sensitisation by skin contact. 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 39 - Wear 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 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 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. 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. 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: | |
| oral-rat LD50 1200 ul/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. oral-mouse LD50 1600 ul/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. oral-mouse LD50 1780 mg/kg (Draize et al., 1948) oral-rat LD50 1340 mg/kg (Draize et al., 1948) | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 825, 1974. skin-mouse LD50 > 10 ml/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| 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 | |||
| 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 | |||
| 0.0028 % | |||
| Category 2: Products applied to the axillae | |||
| 0.039 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.025 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.21 % | |||
| 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 | |||
| 0.041 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.0055 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.033 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.0020 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.091 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.033 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.033 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.0020 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.099 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.099 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.17 % | |||
| 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 | |||
| 0.0020 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.0020 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 14 % | |||
| 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): | 130.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 58.00 (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: | - | 12.00000 | |
| beverages(nonalcoholic): | - | 7.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.00000 | |
| fruit ices: | - | 8.00000 | |
| gelatins / puddings: | - | 1.90000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 11.00000 | |
| 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: | - | 1.90000 | |
| 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 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 |
| 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):105-13-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7738 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:1 |
| (4-methoxyphenyl)methanol |
| Chemidplus:0000105135 |
| RTECS:DO8925000 for cas# 105-13-5 |