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| IUPAC Name - | 2-methoxy-4-prop-2-enylphenol |
| InChI - | InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| InChIKey - | RRAFCDWBNXTKKO-UHFFFAOYAJ |
| CAS Number : | 97-53-0 |
| (EINECS) Number : | 202-589-1 |
| Beilstein Number : | 1366759 |
| FEMA Number : | 2467 |
| COE Number : | 171 |
| Molar Refractivity : | 48.72 ± 0.3 cm3 (est) |
| Parachor : | 384.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.535 ± 0.02 (est) |
| Surface Tension : | 36.5 ± 3.0 dyne/cm (est) |
| Density : | 1.050 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.31 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.80 (est) |
| Molecular Weight : | 164.2010800 (IUPAC) (PT) (112) |
| Formula : | C10 H12 O2 |
| Pherobase Floral: | view |
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| Category : | cosmetic, flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 1529
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| Fl@vouring Number : | 04.003
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| FDA Mainterm : | EUGENOL. |
| FDA Regulation. : | FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS Subpart C--Substances for Use Only as Components of Articles Intended for Repeated Use Sec. 177.2800 Textiles and textile fibers.
FDA PART 184 -- DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Subpart B--Listing of Specific Substances Affirmed as GRAS Sec. 184.1257 Clove and its derivatives.
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Suppliers :
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| Advanced Biotech : | eugenol
98% min. natural |
| Berje : | Eugenol
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| Citrus and Allied Essences : | Eugenol Extra
USP FCC |
| Citrus and Allied Essences : | Eugenol
99/100% FCC (natural) |
| Fleurchem : | eugenol (ex bay)
natural |
| Fleurchem : | eugenol (ex cinnamon leaf)
natural |
| Fleurchem : | eugenol
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| Global Essence : | EUGENOL
NATURAL |
| John D. Walsh : | Eugenol
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| Mane : | eugenol
(ex Clove bud) |
| Moellhausen : | eugenol
99% min. natural kosher Odor: spicy, clove leaf Flavor: spicy |
| Nippon Terpene : | Eugenol
98% up |
| Payand Betrand : | Eugenol
Indonesia, Natural Isolated Constituent |
| Penta : | eugenol extra
USP FCC |
| Polarome : | EUGENOL
USP/FCC |
| Robertet : | Eugénol
naturel |
| SAFC Global® : | Eugenol
≥98%, FCC, Kosher, FG Odor: cinnamon; clove; spicy |
| SAFC Global® : | Eugenol
≥98%, natural, Kosher Odor: cinnamon; clove; spicy |
| Symrise : | Eugenol
Odor: strong, warm-spicy, like clove Flavor: strong, like clove |
| Vigon : | Eugenol
FCC Odor: STRONG AROMATIC ODOR OF CLOVE |
Organoleptics :
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| Odor Type : | spicy |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | sweet spicy clove woody Luebke, William tgsc, (1984) |
| Odor sample from : | Givaudan Corporation |
Odor Description: at 1.00 %. | Sweet, spicy, clove like, woody, with phenolic savory ham and bacon notes and cinnamon and allspice nuances Mosciano, Gerard P&F 26, No. 3, 80, (2001) |
Taste Description: at 1.00 - 10.00 ppm. | Sweet, warm spicy clove with phenolic and woody nuances Mosciano, Gerard P&F 26, No. 3, 80, (2001) |
| Substantivity : | 52 Hour(s) |
Properties :
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| Appearence : | pale yellow to dark yellow clear liquid |
| Assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 1.06400 to 1.07000 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.854 to 8.903
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| Specific Gravity : | 1.06100 to 1.06900 @ 20.00 °C.
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| Pounds per Gallon - est. : | 8.839 to 8.906
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| Refractive Index : | 1.54400 to 1.58900 @ 20.00 °C.
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| Melting Point : | -12.00 to -10.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 252.00 to 253.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 121.00 to 124.00 °C. @ 10.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Vapor Pressure : | 0.10000 mm/Hg @ 20.00 °C. |
| Flash Point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 2.27 |
| 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. |
Safety :
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| Most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human Experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 1930.00 mg/kg PSEBAA 73,148,1950
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | cosmetic, flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 950.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 3364.00 (μg/capita/day) |
| Threshold of Concern : | 1800 (μg/person/day) |
| Structure Class : | I |
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| IFRA Critical Effect : | Sensitization |
| Fragrance usage is IFRA RESTRICTED. View Standard for complete information. |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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Category 1 : See Note (1) | 0.20 % (1) | Category 2 : | 0.20 % |
| Category 3 : | 0.50 % | Category 4 : | 0.50 % |
| Category 5 : | 0.50 % | Category 6 : See Note (1) | 4.30 % (1) |
| Category 7 : | 0.40 % | Category 8 : | 0.50 % |
| Category 9 : | 0.50 % | Category 10 : | 0.50 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again. |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| Recommendation for eugenol flavor usage levels up to : |
| | 2000.0000 ppm in the flavor.
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Safety References :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | view standard |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 1 |
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| | 2-methoxy-4-prop-2-enylphenol |
| BioActivity Analysis : | 125977 |
| dtp/nci : | 209525 |
| (EINECS) Number : | 202-589-1 |
| Chemidplus : | 000097530 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 97-53-0 |
| RTECS : | SJ4375000 for cas# 97-53-0 |
References :
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| | 2-methoxy-4-prop-2-enylphenol |
| NIST Chemistry WebBook : | 4020944582 |
| Pubchem : | 150398 |
| Flavornet : | 97-53-0 |
Cosmetics :
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| Cosmetic Uses : |
denaturants
perfuming agents
tonic
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Other :
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| CosIng : | cosmetic data |
| | C of A |
| Dietary Supplements Labels Database : | Search |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2909.50.4010 |
| FMA : | listed |
| Household Products : | Search |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |