3-phenyl propyl alcohol, 122-97-4
- ️the good scents company,www.thegoodscentscompany.com
| Fragrance Demo Formulas | ||
| Name: | 3-phenylpropan-1-ol | |
| CAS Number: | 122-97-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 204-587-6 | |
| FDA UNII: | U04IC2765C | |
| Nikkaji Web: | J44.158I | |
| Beilstein Number: | 1857542 | |
| MDL: | MFCD00002950 | |
| FEMA Number: | 2885 | |
| CoE Number: | 80 | |
| XlogP3: | 1.90 (est) | |
| Molecular Weight: | 136.19384000 | |
| Formula: | C9 H12 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 636 3-phenyl-1-propanol |
| Flavis Number: | 02.031 (Old) |
| DG SANTE Food Flavourings: | 02.031 3-phenylpropan-1-ol |
| FEMA Number: | 2885 3-phenyl-1-propanol |
| FDA Mainterm: | 3-PHENYL-1-PROPANOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.99800 to 1.00000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.304 to 8.321 |
| Refractive Index: | 1.52400 to 1.52800 @ 20.00 °C. |
| Melting Point: | -18.00 to -17.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 235.00 to 236.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 145.00 to 146.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 0.027100 mmHg @ 25.00 °C. (est) |
| Flash Point: | 229.00 °F. TCC ( 109.44 °C. ) |
| logP (o/w): | 1.880 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| benzyl benzoate | |
| dipropylene glycol | |
| fixed oils | |
| propylene glycol | |
| water, 5680 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| paraffin oil | |
| glycerin | |
| water | |
| Stability: | |
| cream | |
| hair spray | |
| lotion | |
| non-discoloring in most media | |
| powder | |
| shampoo |
Organoleptic Properties:
| Odor Type: | balsamic |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet spicy cinnamyl mignonette hyacinth balsam |
| Substantivity: | 152 Hour(s) |
Cosmetic Information:
Safety 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. | |
| 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
oral-rat LD50 2300 mg/kg | |
| 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 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients.View pdf | |
| 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 |
| Toxicology Citations: | Search |
| Env. Mutagen Info. Center: | Search |
| NLM Developmental and Reproductive Toxicity: | 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 |
References:
| 3-phenylpropan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 122-97-4 |
| Pubchem (cid): | 31234 |
| Pubchem (sid): | 134974205 |
| Flavornet: | 122-97-4 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33962 |
| FooDB: | FDB012188 |
| Export Tariff Code: | 2906.29.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| allspice | FR | |
| apricot | FR | |
| arpege | ||
| balsam | FR | |
| benzoin absolute replacer | FL/FR | |
| blue grass | FR | |
| candy | FL | |
| carnation | FR | |
| cassia | FR | |
| cinnamon | FR | |
| citrus | FR | |
| cloudberry bakeapple | FL | |
| cranberry | FR | |
| cream ice cream | FL | |
| cyclamen | FR | |
| hazelnut | FR | |
| herbal | FR | |
| honey | FR | |
| huckleberry | FR | |
| hyacinth | FR | |
| jasmin | FR | |
| je reviens | ||
| jonquil | FR | |
| joy | ||
| leather | FR | |
| lilac | FR | |
| lily of the valley | FR | |
| lily of the valley | FR | |
| linden flower | FR | |
| narcissus | FR | |
| orchid | FR | |
| oriental | FR | |
| passion fruit | FR | |
| peach | FR | |
| peru balsam | FR | |
| pistachio | FL | |
| plum | FR | |
| reseda | FR | |
| rose | FR | |
| spice | FR | |
| strawberry | FR | |
| styrax | FR | |
| tea | FL | |
| walnut | FL |
Occurrence (nature, food, other): note
| benzoin sumatra Search PMC Picture | |
| bilberry fruit juice Search Trop Picture | |
| blackberry fruit Search PMC Picture | |
| blueberry fruit Search Trop Picture | |
| champaca concrete @ 0.02% Data GC Search Trop Picture | |
| cistus oil @ 0.1% Data GC Search Trop Picture | |
| hyacinthus orientalis absolute @ 0.81-0.86% Data GC Search Trop Picture | |
| mushroom matsutake mushroom Search PMC Picture | |
| mushroom shiitake mushroom Search PMC Picture | |
| narcissus absolute @ 1.52% Data GC Search Trop Picture | |
| peru balsam Search Trop Picture | |
| rum Search PMC Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| styrax Search Picture | |
| wine white wine Search Picture |
Synonyms:
| benzene propanol | |
| 3- | benzene propanol |
| benzyl ethyl alcohol | |
| dihydrocinnamal alcohol | |
| dihydrocinnamic alcohol | |
| dihydrocinnamyl alcohol | |
| hydrocinnamic alcohol | |
| hydrocinnamyl alcohol | |
| 1- | hydroxy-3-phenyl propane |
| 1- | hydroxy-3-phenylpropane |
| (3- | hydroxypropyl) benzene |
| phenethyl carbinol | |
| phenol, 4-butoxy- | |
| phenol, p-butoxy- | |
| 3- | phenyl propan-1-ol |
| 3- | phenyl propanol |
| gamma- | phenyl propanol |
| phenyl propyl alcohol | |
| 3- | phenyl propyl alcohol |
| gamma- | phenyl propyl alcohol |
| phenyl propyl alcohol FCC | |
| phenyl propyl alcohol USA | |
| 3- | phenyl-1-propanol |
| 3- | phenyl-N-propanol |
| 3- | phenylpropan-1-ol |
| 3- | phenylpropanol USA |
| 3- | phenylpropanol-1 |
| phenylpropyl alcohol | |
| 3- | phenylpropyl alcohol |
| 3- | phenylpropyl alcohol ( 3-phenyl-1-propanol ) |
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