Articles:
| Info: | eugenol and related hydroxyallylbenzene derivatives |
4-allylphenol
Notes:
Found in many essential oils, e.g. anise and Gardenia. Used in perfumery and flavours
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 501-92-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 207-929-2 | |
| FDA UNII: | Q5ER4K6969 | |
| Nikkaji Web: | J6.195F | |
| MDL: | MFCD01940501 | |
| CoE Number: | 11218 | |
| XlogP3: | 2.90 (est) | |
| Molecular Weight: | 134.17790000 | |
| Formula: | C9 H10 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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: | 1527 4-allylphenol |
| DG SANTE Food Flavourings: | 04.058 4-allylphenol |
| FEMA Number: | 4075 4-allylphenol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 501-92-8 ; 4-ALLYLPHENOL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01700 to 1.02300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.462 to 8.512 |
| Refractive Index: | 1.54200 to 1.54800 @ 20.00 °C. |
| Melting Point: | 15.00 to 16.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 234.00 to 236.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 216.00 °F. TCC ( 102.22 °C. ) |
| logP (o/w): | 2.910 |
| Soluble in: | |
| alcohol | |
| water, 1110 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: phenolic | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| phenolic medicinal herbal | |
| Odor Description: at 0.10 % in dipropylene glycol. | phenolic medicinal herbal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Phenol,4-(2-propen-1-yl)- |
| BOC Sciences |
| For experimental / research use only. |
| p-Allylphenol 98% |
| Carbosynth |
| For experimental / research use only. |
| 4-Allylphenol |
| Parchem |
| chavicol |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for chavicol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.073 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.60 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 360 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | 10.00000 | 50.00000 | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 5.00000 | 25.00000 | |
| hard candy: | 10.00000 | 50.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 2.00000 | 10.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | 5.00000 | 25.00000 | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | 7.00000 | 35.00000 | |
| reconstituted vegetables: | 7.00000 | 35.00000 | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 20.00000 | 100.00000 | |
| soft candy: | 10.00000 | 50.00000 | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.50000 | 2.50000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.50000 | |
| Processed fruit (04.1): | 0.40000 | 2.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 1.00000 | 5.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 2.00000 | 10.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.20000 | 1.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.20000 | 1.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.30000 | 1.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.50000 | 2.50000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
| Ready-to-eat savouries (15.0): | 2.00000 | 10.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.40000 | 2.00000 | |
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): | |
| Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 68148 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-prop-2-enylphenol | |
| Chemidplus: | 0000501928 |
References:
| 4-prop-2-enylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 501-92-8 |
| Pubchem (cid): | 68148 |
| Pubchem (sid): | 135024497 |
| Flavornet: | 501-92-8 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C16930 |
| HMDB (The Human Metabolome Database): | HMDB34107 |
| FooDB: | FDB012373 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| For Odor | ||
| fatty | ||
| fatty | ||
| lauric acid | FL/FR | |
| floral | ||
| butyl salicylate | FL/FR | |
| herbal | ||
| ajowan seed oil | FL/FR | |
| matricaria chamomilla flower oil | FL/FR | |
| white | thyme oil | FL/FR |
| thyme oil (thymus zygis gracillis) spain | FL/FR | |
| red | thyme oil spain | FL/FR |
| thymol | FL/FR | |
| medicinal | ||
| 2,6- | xylenol | FL/FR |
| phenolic | ||
| 4- | propyl phenol | FL/FR |
| 2- | propyl phenol | FL/FR |
| 4- | vinyl phenol | FL/FR |
| spicy | ||
| allspice oleoresin | FL/FR | |
| cinnamon acrolein | FL/FR | |
| 4- | methyl guaiacol | FL/FR |
| woody | ||
| alpha- | terpinene | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| para- | anisic acid | FL |
| butyl salicylate | FL/FR | |
| lauric acid | FL/FR | |
| 4- | propyl phenol | FL/FR |
| 2- | propyl phenol | FL/FR |
| burnt | ||
| 2,6- | xylenol | FL/FR |
| herbal | ||
| ajowan seed oil | FL/FR | |
| matricaria chamomilla flower oil | FL/FR | |
| white | thyme oil | FL/FR |
| thyme oil (thymus zygis gracillis) spain | FL/FR | |
| red | thyme oil spain | FL/FR |
| phenolic | ||
| thymol | FL/FR | |
| 4- | vinyl phenol | FL/FR |
| spicy | ||
| allspice oleoresin | FL/FR | |
| cinnamon acrolein | FL/FR | |
| 4- | methyl guaiacol | FL/FR |
| winter | savory oil | FL |
| terpenic | ||
| alpha- | terpinene | FL/FR |
Potential Uses:
| bayberry | FR | |
| betel | FR |
Occurrence (nature, food, other): note
| allspice fruit Search Trop Picture | |
| allspice leaf Search Trop Picture | |
| allspice seed Search Trop Picture | |
| alpinia galanga oil @ 0.20% Data GC Search Trop Picture | |
| basil plant Search Trop Picture | |
| bay leaf oil @ <0.01-15.51% Data GC Search Trop Picture | |
| bay leaf oil anise @ 0.8% Data GC Search Trop Picture | |
| bay leaf oil clove @ 17.1% Data GC Search Trop Picture | |
| betel leaf Search Trop Picture | |
| cananga odorata flower oil CO2 extract @ 0.02% Data GC Search Trop Picture | |
| cassia plant Search Trop Picture | |
| clove bud Search Trop Picture | |
| clove fruit Search Trop Picture | |
| ginger rhizome oil Search Trop Picture | |
| marjoram plant Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| ylang ylang flower oil @ 0.08% Data GC Search Trop Picture |
Synonyms:
| 4- | allyl phenol |
| p- | allyl phenol |
| para- | allyl phenol |
| 4- | allylphenol |
| p- | allylphenol |
| para- | allylphenol |
| p- | chavicol |
| p- | hydroxyallyl benzene |
| para- | hydroxyallyl benzene |
| p- | hydroxyallylbenzene |
| para- | hydroxyallylbenzene |
| 3-(p- | hydroxyphenyl)-1-propene |
| 3-(para- | hydroxyphenyl)-1-propene |
| gamma-(p- | hydroxyphenyl)-alpha-propylene |
| gamma-(para- | hydroxyphenyl)-alpha-propylene |
| phenol, 4-(2-propen-1-yl)- | |
| 4-( | prop-2-en-1-yl)phenol |
| 4-( | prop-2-enyl)-phenol |
| 4- | prop-2-enylphenol |