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3-phenyl propyl alcohol
General Material Information
| Preferred name | 3-phenyl propyl alcohol |
| Trivial Name | Benzenepropanol |
| Short Description | 3-phenyl-1-propanol |
| Formula | C9 H12 O |
| CAS Number | 122-97-4 |
| FEMA Number | 2885 |
| ECHA Number | 204-587-6 |
| FDA UNII | U04IC2765C |
| Nikkaji Number | J44.158I |
| Beilstein Number | 1857542 |
| MDL | MFCD00002950 |
| COE Number | 80 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 636 3-phenyl-1-propanol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 122-97-4 ; 3-PHENYL-1-PROPANOL |
| 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 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33962 |
| FooDB: | FDB012188 |
| Export Tariff Code: | 2906.29.6000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 136.19383239746 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.304 to 8.321 |
| Refractive Index | 1.524 to 1.528 @ 20 °C |
| Melting Point | -18 to -17°C @ 760 mm Hg |
| Boiling Point | 235 to 236°C @ 760 mm Hg |
| Boiling Point | 145 to 146°C @ 50 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 109.44 °C TCC |
| logP (o/w) | 1.88 |
| 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 | |
| alcohol | Yes |
| benzyl benzoate | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| propylene glycol | Yes |
| water, 5680 mg/L @ 25 °C (exp) | Yes |
| paraffin oil | No |
| glycerin | No |
| water | No |
| Stability | |
| cream | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
Organoleptic Properties
| Odor Type: Balsamic | |
| sweet, spicy, cinnamyl, floral, hyacinth, balsamic, cinnamon, fruity, honey | |
| Odor strength | medium |
| Substantivity | 152 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. sweet spicy cinnamyl mignonette hyacinth balsam |
| Mosciano, Gerard P&F 20, No. 6, 49, (1995) | Spicy, cinnamon, fruity, floral and honey-like with balsamic nuances |
| Flavor Type: Spicy | |
| spicy, cinnamon, balsamic, fruity, winey, honey, floral | |
| Mosciano, Gerard P&F 20, No. 6, 49, (1995) | At 20.00 ppm. Spicy, cinnamon, balsamic, fruity, winey and honey-like with floral nuances |
| Useful in: brown nuts, savory spices, fruity red, fruity yellow, fruity tropical, sweet others. | Sweet, Fruity, Balsamic, Cinnamon |
| General comment | Fruity, balsamic (honey), cinnamon |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Allspice , Apricot , Balsam , Benzoin absolute replacer , Blue grass , Carnation , Cassia , Cinnamon , Citrus , Cranberry , Cyclamen , Hazelnut , Herbal , Honey , Huckleberry , Hyacinth , Jasmin , Jonquil , Leather , Lilac , Lily of the valley , Lily of the valley , Linden flower , Narcissus , Orchid , Oriental , Passion fruit , Peach , Peru balsam , Plum , Reseda , Rose , Spice , Strawberry , Styrax |
| Flavoring purposes | Benzoin absolute replacer , Candy , Cloudberry bakeapple , Cream ice cream , Pistachio , Tea , Walnut |
| Other purposes | Arpege , Je reviens , Joy |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| 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) | |
| 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. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. 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. 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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 2300 mg/kg Confidence limits of 1500-3100 mg/kg bw, 4 dose groups of 10 animals, only summary available. (Moreno, 1976p) oral-rat LD50 [sex: M,F] 2250 mg/kg Value in ul/kg bw, 4 dose groups of 5 animals used, confidence limits of 1680-3000 ìl/kg bw. (Wong & Weir, 1971a) oral-rat LD50 2300 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979. | |
| 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 | |||
| Recommendation for 3-phenyl propyl alcohol usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 51.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 31.00 (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: | - | 3.30000 | |
| beverages(nonalcoholic): | - | 0.73000 | |
| beverages(alcoholic): | - | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 4.30000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.40000 | |
| fruit ices: | - | 1.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.80000 | |
| 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) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf |
| Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species 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):122-97-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31234 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 3-phenylpropan-1-ol |
| Chemidplus:0000122974 |
| RTECS:UB8970000 for cas# 122-97-4 |