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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 |