| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 123-07-9 |
| ECHA EC Number: | 204-598-6 |
| FDA UNII: | AGG7E6G0ZC |
| CoE Number: | 550 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 4-ethyl phenol |
| InChI : | InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| Std.InChI: | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| InChIKey : | HXDOZKJGKXYMEW-UHFFFAOYAF |
| Std.InChIKey: | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
| SMILES : | CCC1=CC=C(C=C1)O |
| MDL: | MFCD00002393 |
| Molar Refractivity : | 37.68 ± 0.3 cm3 (est) |
| Parachor : | 298.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.536 ± 0.02 (est) |
| Surface Tension : | 37.6 ± 3.0 dyne/cm (est) |
| Density : | 1.012 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.93 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 694 p-ethylphenol |
| DG SANTE Food Flavourings: | 04.022 4-ethylphenol |
| FEMA Number: | 3156 p-ethylphenol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 123-07-9 ; P-ETHYLPHENOL |
| Appearance: | white to yellow crystals (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 44.00 to 46.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 218.00 to 219.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.083000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.2 ( Air = 1 ) |
| Flash Point: | 213.00 °F. TCC ( 100.56 °C. ) |
| logP (o/w): | 2.580 |
| Soluble in: | |
| water, 2346 mg/L @ 25 °C (est) | |
| water, 4900 mg/L @ 25 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Beijing Lys Chemicals |
| p-Ethyl phenol |
| BOC Sciences |
| For experimental / research use only. |
| 4-Ethylphenol |
| EMD Millipore |
| For experimental / research use only. |
| 4-Ethylphenol |
| Ernesto Ventós |
| 4-ETHYLPHENOL |
| FCI SAS |
| 4-Ethyl Phenol |
| Lluch Essence |
| 4-ETHYL PHENOL |
| M&U International |
| p-ETHYLPHENOL, Kosher |
| Penta International |
| 3-ETHYL PHENOL |
| Penta International |
| P-ETHYLPHENOL |
| Sigma-Aldrich |
| 4-Ethylphenol, ≥98%, FG Odor: alcohol; medicinal |
| Certified Food Grade Products |
| Synerzine |
| p-Ethyl Phenol |
| TCI AMERICA |
| For experimental / research use only. |
| 4-Ethylphenol >97.0%(GC) |
| Tianjin Danjun International |
| 4-Ethylphenol |
| WholeChem |
| P-Ethylphenol |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Blaszcak & Auletta, 1986) intraperitoneal-mouse LD50 138 mg/kg Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 4-ethyl phenol usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.50 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 0.20000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | - | |
| 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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (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 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 |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf |
| Scientific Opinion on the safety and efficacy of phenol derivatives containing ring-alkyl, ring-alkoxy and side-chains with an oxygenated functional group (chemical group 25) when used as flavourings for all species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):123-07-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31242 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2430 |
| WGK Germany:3 |
| 4-ethylphenol |
| Chemidplus:0000123079 |
| RTECS:SL4040000 for cas# 123-07-9 |
| 4-ethylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-07-9 |
| Pubchem (cid): | 31242 |
| Pubchem (sid): | 134974380 |
| Flavornet: | 123-07-9 |
| Pherobase: | View |
| (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 |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C13637 |
| HMDB (The Human Metabolome Database): | HMDB29306 |
| FooDB: | FDB000358 |
| Export Tariff Code: | 2907.19.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: the purity of the commercial product is 98%. | |
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| benzene,1-ethyl,4-hydroxy | |
| p- | ethyl phenol |
| para- | ethyl phenol |
| 1- | ethyl-4-hydroxybenzene |
| 4- | ethylphenol |
| p- | ethylphenol |
| para- | ethylphenol |
| p- | ethylphenol (food grade) |
| p- | ethylphenol natural |
| 1- | hydroxy-4-ethyl benzene |
| 1- | hydroxy-4-ethylbenzene |
| 4- | hydroxyethyl benzene |
| 4- | hydroxyethylbenzene |
| 4- | hydroxyphenyl ethane |
| (4- | hydroxyphenyl)ethane |
| 4- | hydroxyphenylethane |
| phenol, 4-ethyl- | |
| phenol, p-ethyl- |
