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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 |
| jecfa number : | 1529 |
| fl. number : | 04.003 |
| molar refractivity : | 48.72 ± 0.3 cm3 |
| parachor : | 384.3 ± 4.0 cm3 |
| index of refraction : | 1.535 ± 0.02 |
| surface tension : | 36.5 ± 3.0 dyne/cm |
| density : | 1.050 ± 0.06 g/cm3 |
| polarizability : | 19.31 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 164.2010800 (IUPAC) |
| formula : | C10 H12 O2 |
| BioActivity Analysis : | 125977 |
| pherobase : | view |
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| export tariff code : | 2909.50.4010 |
| fda reg : | 177.2800 184.1257 |
Suppliers :
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| Advanced Biotech : | eugenol
98% min. natural |
| Berje : | Eugenol
|
| 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
|
| John D. Walsh : | Eugenol
|
| 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 |
| Sigma-Aldrich-SAFC : | Eugenol
≥98%, FCC, Kosher, FG Odor: cinnamon; clove; spicy |
| Sigma-Aldrich-SAFC : | 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 description¹ : at 10.00 % in dipropylene glycol. | sweet spicy clove woody |
| odor sample from : | Givaudan Corporation |
odor description³ : at 1.00 %. | Sweet, spicy, clove like, woody, with phenolic savory ham and bacon notes and cinnamon and allspice nuances |
taste description³ : at 1.00 - 10.00 ppm. | Sweet, warm spicy clove with phenolic and woody nuances |
| 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 - calc. : | 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 - calc. : | 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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| 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 RESTRICTED to : |
| 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 : | 0.20 % (1) | Category 2 : | 0.20 % |
| Category 3 : | 0.90 % | Category 4 : | 2.70 % |
| Category 5 : | 1.40 % | Category 6 : | 4.30 % (1) |
| Category 7 : | 0.40 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note | |
| | (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). |
| | Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product. For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case eugenol) must not exceed 5% in the candle. |
| 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 : | IFRA - ( Found under : Eugenol ) |
| 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 |
| (EINECS) number : | 202-589-1 |
| RTECS : | SJ4375000 for cas# 97-53-0 |
| chemidplus : | 000097530 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 97-53-0 |
| dtp/nci : | 209525 |
references :
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| | 2-methoxy-4-prop-2-enylphenol |
| fl. number : | 04.003 |
| jecfa number : | 1529 |
| NIST Chemistry WebBook : | 4020944582 |
| pubchem : | 150398 |
| Flavornet : | 97-53-0 |
other :
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| reference : | Luebke, William tgsc, (1984)¹ |
| reference : | Mosciano, Gerard P&F 26, No. 3, 80, (2001)³ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| Dietary Supplements Labels Database : | Search |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |