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benzyl alcohol
General Material Information
| Preferred name | benzyl alcohol |
| Trivial Name | Benzyl alcohol |
| Short Description | phenylmethyl alcohol |
| Formula | C7 H8 O |
| CAS Number | 100-51-6 |
| Deleted CAS Number | 1336-27-2 |
| FEMA Number | 2137 |
| FDA UNII | LKG8494WBH |
| Nikkaji Number | J4.009F |
| Beilstein Number | 0878307 |
| MDL | MFCD00004599 |
| COE Number | 58 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 25 benzyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 100-51-6 ; BENZYL 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
| phenylmethanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 100-51-6 |
| Pubchem (cid): | 244 |
| Pubchem (sid): | 134972706 |
| Flavornet: | 100-51-6 |
| 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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C00556 |
| HMDB (The Human Metabolome Database): | HMDB03119 |
| FooDB: | FDB008745 |
| YMDB (Yeast Metabolome Database): | YMDB01426 |
| Export Tariff Code: | 2906.21.0000 |
| FDA Listing of Food Additive Status: | View |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 108.13996124268 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.662 to 8.704 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.681 to 8.722 |
| Refractive Index | 1.5385 to 1.5405 @ 20 °C |
| Melting Point | -16 to -14°C @ 760 mm Hg |
| Boiling Point | 205 to 206°C @ 760 mm Hg |
| Boiling Point | 124 to 125°C @ 50 mm Hg |
| Acid Value | 0.5 max KOH/g |
| Vapor Pressure | 0.094 mmHg @ 25 °C |
| Vapor Density | 3.7 |
| Flash Point TCC Value | 96 °C TCC |
| logP (o/w) | 1.1 |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Solubility | |
| ethyl alcohol, 1:1.5 in 50% alcohol | Yes |
| ethyl alcohol, 1:8-9 in 30% alcohol | Yes |
| most organic solvents | Yes |
| water, 1:25 in water | Yes |
| water, 4.29E+04 mg/L @ 25 °C (exp) | Yes |
| paraffin oil | No |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, rose, phenolic, balsamic, sweet, fruity, chemical | |
| Odor strength | medium |
| Substantivity | 35 hour(s) at 100.00 % |
| Luebke, William tgsc, (1981) | At 100.00 %. floral rose phenolic balsamic |
| Mosciano, Gerard P&F 15, No. 4, 59, (1990) | Sweet, floral, fruity with chemical nuances |
| Flavor Type: Fruity | |
| chemical, fruity, cherry, almond, balsamic, bitter | |
| General comment | Chemical fruity cherry almond balsamic bitter |
| Mosciano, Gerard P&F 15, No. 4, 59, (1990) | At 50.00 ppm. Chemical, fruity with balsamic nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Almond, Apple, Apricot, Berry, Blueberry, Bouquet, Bread baked bread, Butter, Cassia, Champaca, Cherry, Cinnamon, Clove, Coconut, Cranberry, Fig, Gardenia, Gingerbread, Grape, Honey, Honeysuckle, Hyacinth, Jasmin, Jonquil, Lavender, Leather, Lemon, Lilac, Lily of the valley, Melon, Narcissus, Orange, Orris, Peach, Pear, Peru balsam, Pina colada, Plum blossom, Popcorn, Pumpkin pie, Raspberry, Rose, Rose white rose, Spice, Strawberry, Tea green tea, Tuberose, Vanilla, Wallflower, Ylang ylang |
| Flavoring purposes | Bread crust, Chocolate cacao, Nut, Tea black tea, Walnut |
| Other purposes | Enhancer, Fixer |
| Cosmetic purposes | Perfuming agents, Preservatives, Solvents, Viscosity controlling agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/22 - Harmful by inhalation and if swallowed. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. 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. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302; Acute toxicity, Inhalation (Category 4), H332 Eye irritation (Category 2A), H319 Acute aquatic toxicity (Category 2), H401 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 + H332 - Harmful if swallowed or if inhaled H319 - Causes serious eye irritation H401 - Toxic to aquatic life | |
| 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 + P330 - IF SWALLOWED: Call a POISON CENTER or doctor/ physician if you feel unwell. Rinse mouth. P304 + P340 + P312 - IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or doctor/ physician if you feel unwell. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: non-sensitising. | |
| Oral/Parenteral Toxicity: | |
| oral-rabbit LD50 1040 mg/kg (Graham & Kuizenga, 1945) oral-rat LD50 2979 mg/kg (Ciba-Geigy Corp., 1945) oral-rat LD50 2080 mg/kg (Graham & Kuizenga, 1945) gavage-rat LD50 [sex: M,F] 1230 mg/kg (Jenner et al., 1964) oral-rat LD50 [sex: M,F] 1570 mg/kg (Damment, 1980) oral-rat LD50 3100 mg/kg (Smyth et al., 1951a) gavage-mouse LD50 1580 mg/kg (Jenner et al., 1964) oral-mouse LD50 1150 mg/kg (Carter et al., 1958) oral-bird - wild LD50 100 mg/kg Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. intravenous-cat LDLo 625 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920. intravenous-dog LDLo 50 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Toxicology and Applied Pharmacology. Vol. 18, Pg. 60, 1971. parenteral-dog LDLo 9 mg/kg BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 25, Pg. 153, 1973. oral-guinea pig LD50 2500 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 81, 1985. intraperitoneal-mouse LD50 650 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Pharmaceutical Sciences. Vol. 75, Pg. 702, 1986. intravenous-mouse LD50 324 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. oral-mouse LD50 1360 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 81, 1985. oral-rabbit LD50 1040 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 2000 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 6, 1974. skin-cat LDLo 10000 mg/kg GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: TREMOR Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945. subcutaneous-rat LDLo 1700 mg/kg BEHAVIORAL: COMA KIDNEY, URETER, AND BLADDER: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895. | |
| Inhalation Toxicity: | |
| inhalation-rat LCLo 1000 ppm/8H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
Safety in use information
| Category: | |||
| flavor and fragrance agents, carrier solvents | |||
| 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 | |||
| 0.45 % | |||
| Category 2: Products applied to the axillae | |||
| 0.14 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.34 % | |||
| Category 4: Products related to fine fragrance | |||
| 2.50 % | |||
| 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 | |||
| 0.64 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.17 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.34 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.057 % | |||
| Category 6: Products with oral and lip exposure | |||
| 1.50 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.68 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.68 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.057 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 2.20 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 2.20 % | |||
| Category 10B: Household aerosol/spray products | |||
| 8.50 % | |||
| 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 | |||
| 0.057 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.057 % | |||
| 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): | 13000.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 37000.00 (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: | - | 220.00000 | |
| beverages(nonalcoholic): | - | 15.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1200.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 160.00000 | |
| fruit ices: | - | 160.00000 | |
| gelatins / puddings: | 21.00000 | 45.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 47.00000 | |
| 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 |
| Scientific Opinion on the evaluation of the substances currently on the list in the Annex to Commission Directive 96/3/EC as acceptable previous cargoes for edible fats and oils Part I of III View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):100-51-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :244 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WISER:UN 3334 |
| WGK Germany:1 |
| phenylmethanol |
| Chemidplus:0000100516 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:100-51-6 |