Articles:
| None found yet. |
Notes:
Flavouring ingredient
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | 2-ethoxy-5-prop-1-enylphenol | |
| CAS Number: | 94-86-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-370-0 | |
| FDA UNII: | JP95W81L3F | |
| Beilstein Number: | 2259898 | |
| MDL: | MFCD00009283 | |
| FEMA Number: | 2922 | |
| CoE Number: | 170 | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 178.23098000 | |
| Formula: | C11 H14 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register does not specify stereoisomers. Registername to be changed to 6-Ethoxy-3-(prop-1-enyl)phenol. Mixture of E/Z-isomers (EFFA, 2010a). Composition of stereoisomeric mixture to be specified. | |
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 |
| JECFA Food Flavoring: | 1264 propenylguaethol |
| Flavis Number: | 04.002 (Old) |
| DG SANTE Food Flavourings: | 04.002 6-ethoxyprop-3-enylphenol |
| FEMA Number: | 2922 propenylguaethol |
| FDA Mainterm: | PROPENYLGUAETHOL |
| 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: | white crystalline powder (est) |
| Assay: | 97.00 to 100.00 % |
| Heavey Metals: | <10ppm |
| Food Chemicals Codex Listed: | Yes |
| Melting Point: | 86.00 to 88.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 312.00 to 313.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000281 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 3.415 (est) |
| 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 | |
| fixed oils | |
| propylene glycol | |
| water, 116.2 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: | vanilla |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | sweet vanilla woody tobacco spicy phenolic powdery |
| Substantivity: | 400 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety 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 37/39 - Wear suitable gloves and eye/face protection. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 2400 mg/kg (Bär & Griepentrog, 1967) oral-rat LD50 [sex: M,F] 1575 mg/kg (Piccirillo, 1984b) oral-rat LD50 2400 mg/kg Quarterly Bulletin--Association of Food and Drug Officials of the United States. Vol. 15, Pg. 82, 1951. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for propenyl guaethol usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 38.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 354.00 (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: | - | 20.00000 | |
| beverages(nonalcoholic): | - | 5.90000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.30000 | |
| fruit ices: | - | 6.30000 | |
| gelatins / puddings: | - | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 20.00000 | |
| 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): | |
| Flavouring Group Evaluation 30 (FGE.30): 2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 30, Revision 1 (FGE.30Rev1): 4-Prop-1-enylphenol and 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 View page or View pdf | |
| EPI System: | View |
| Env. Mutagen Info. Center: | Search |
| EPA Substance Registry Services (TSCA): | 94-86-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 60982 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-ethoxy-5-prop-1-enylphenol | |
| Chemidplus: | 0000094860 |
| RTECS: | SL3850000 for cas# 94-86-0 |
References:
| 2-ethoxy-5-prop-1-enylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 94-86-0 |
| Pubchem (cid): | 60982 |
| Pubchem (sid): | 135017851 |
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): | HMDB40800 |
| FooDB: | FDB020616 |
| Export Tariff Code: | 2909.50.5000 |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1- | ethoxy-2-hydroxy-4-(1-propenyl)benzene |
| 1- | ethoxy-2-hydroxy-4-propenybenzene |
| 1- | ethoxy-2-hydroxy-4-propenyl benzene |
| 2- | ethoxy-5-(1-propenyl) phenol |
| 2- | ethoxy-5-(1-propenyl)phenol |
| 2- | ethoxy-5-prop-1-enyl phenol |
| 2- | ethoxy-5-prop-1-enylphenol |
| 6- | ethoxy-m-anol |
| 6- | ethoxy-meta-anol |
| 6- | ethoxyprop-3-enyl phenol |
| 6- | ethoxyprop-3-enylphenol |
| ethoxypropenyl phenol | |
| hydroxy methyl anethol | |
| hydroxymethyl anethole | |
| propenyl guaethol | |
| propenyl guaethol FCC | |
| propenyl guaethol synthetic | |
| 3- | propenyl-6-ethoxyphenol |
| propenylene guaethol | |
| propenylguaethol | |
| iso | safro eugenol |
| iso | safro eugenol (propenyl guaethol) |
| iso | safroeugenol |
| vaniatrope | |
| vanitrope |