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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 |
| (EINECS) number : | 202-589-1 |
| cas number : | 97-53-0 |
| 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 |
| formula : | C10 H12 O2 |
| BioActivity Analysis : | 125977 |
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| fda reg : | 177.2800 184.1257 |
h. number : | 2909.50.4010 |
| organoleptics : | |
| 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 |
| taste description³ : | at 1.00 - 10.00 ppm. Sweet, warm spicy clove with phenolic and woody nuances |
| substantivity : | 52 Hour(s) |
| properties : | |
| appearence : | pale yellow to dark yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.06400 - 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 - 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 - 1.58900 @ 20.00 °C.
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| melting point : | 10.00 - 11.00 °C. @ 760.00 mm Hg
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| boiling point : | 252.00 - 253.00 °C. @ 760.00 mm Hg
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| boiling point : | 121.00 - 124.00 °C. @ 10.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 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 : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1930.00 mg/kg PSEBAA 73,148,1950
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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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 | |
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| | (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 usage levels up to : |
| | 2000.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 202-589-1 |
| rtecs : | SJ4375000 for 97-53-0 |
| chemidplus : | 000097530 |
| epa-srs : | 97-53-0 |
| dtp/nci : | 209525 |
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| ifra : | ifra - ( Found under : Eugenol ) |
| other : | |
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C of A
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| references : | |
| pubchem : | 150398 |
| NIST Chemistry WebBook : | 4020944582 |
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| reference : | Mosciano, Gerard P&F 26, No. 3, 80, (2001)³ |