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| IUPAC Name - | methyl 2-hydroxybenzoate |
| InChI - | InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3 |
| InChIKey - | OSWPMRLSEDHDFF-UHFFFAOYAD |
| SMILES - | COC(=O)C1=CC=CC=C1O |
| CAS Number : | 119-36-8 |
| (EINECS) Number : | 204-317-7 |
| Beilstein Number : | 0971516 |
| FEMA Number : | 2745 |
| COE Number : | 433 |
| Molar Refractivity : | 39.90 ± 0.3 cm3 (est) |
| Parachor : | 327.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.547 ± 0.02 (est) |
| Surface Tension : | 45.7 ± 3.0 dyne/cm (est) |
| Density : | 1.209 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.82 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.50 (est) |
| Molecular Weight : | 152.1473200 (IUPAC) (PT) (112) |
| Formula : | C8 H8 O3 |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 899
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| Fl@vouring Number : | 09.749
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| FDA Mainterm : | METHYL SALICYLATE. |
| FDA Regulation. : | FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives.
FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS Subpart B--Substances for Use as Basic Components of Single and Repeated Use Food Contact Sec. 177.1010 Acrylic and modified acrylic plastics, semirigid and rigid.
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Suppliers :
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| Aceto : | Methyl Salicylate
NF FCC |
| Advanced Biotech : | methyl salicylate
99% min. natural |
| Advanced Biotech : | methyl salicylate
99% min. synthetic |
| Bell : | Methyl Salicylate
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| Berje : | Methyl Salicylate
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| Citrus and Allied Essences : | Methyl Salicylate
98% (natural) |
| Fleurchem : | methyl salicylate
natural |
| Fleurchem : | methyl salicylate
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| Global Essence : | METHYL SALICYLATE
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| John D. Walsh : | Methyl Salicylate
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| Moellhausen : | methyl salicylate
98% min. nature identical kosher Odor: aromatic, sweet, curative, phenolic Flavor: sweet, wintergreen |
| Penta : | methyl salicylate
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| Penta : | methyl salicylate
98% (natural) |
| Polarome : | METHYL SALICYLATE
SYNTHETIC NF/FCC |
| Robertet : | METHYL SALICYLATE (METHYL 2-HYDROXYBENZOATE)
Pure & Nat (EU) |
| SAFC Global® : | Methyl salicylate
≥98%, FCC, Kosher Odor: minty; spicy; sweet |
| Shanghai Green Leaf : | Methyl Salicylate
BP |
| Ungerer : | Methyl Salicylate
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| Vigon : | Methyl Salicylate Extra Pure
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| Vigon : | Methyl Salicylate
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Organoleptics :
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| Odor Type : | minty |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | wintergreen mint Luebke, William tgsc, (1983) |
| Odor sample from : | Berje Inc. |
Odor Description:
| Sweet, salicylate, root beer, wintergreen, aromatic, slightly phenolic and camphoreous Mosciano, Gerard P&F 20, No. 6, 49, (1995) |
Taste Description: at 10.00 ppm. | Sweet, salicylate and root beer with aromatic and balsamic nuances Mosciano, Gerard P&F 20, No. 6, 49, (1995) |
| Substantivity : | 8 Hour(s) |
Properties :
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| Appearence : | colorless to pink clear liquid |
| Assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 1.18000 to 1.18500 @ 25.00 °C.
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| Pounds per Gallon - est. : | 9.819 to 9.860
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| Refractive Index : | 1.53500 to 1.53800 @ 20.00 °C.
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| Melting Point : | -8.00 to -7.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 222.00 to 224.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 132.00 to 133.00 °C. @ 50.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Vapor Pressure : | 1.00000 mm/Hg @ 54.00 °C. |
| Vapor Density : | 5.26 ( Air = 1 ) |
| Flash Point : | 205.00 °F. TCC ( 96.11 °C. )
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| logP (o/w) : | 2.55 |
| 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 36/38 - Irritating to skin and eyes. 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.
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| Human Experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Gavage-Mouse [sex: M] 1390.00 mg/kg (Ohsumi et al., 1984)
Gavage-Rat 1250.00 mg/kg (Giroux et al., 1954b)
Oral-Rat [sex: M,F] M:3049.00 F:2642.00 mg/kg (Givaudan Corporation, 1982)
Gavage-Rat [sex: M,F] 887.00 mg/kg (Jenner et al., 1964)
Oral-Rat 1220.00 mg/kg (Nivikov et al., 1994)
Oral-Mouse [sex: M] 1110.00 mg/kg (Davison et al., 1961)
Gavage-Guineapig [sex: M,F] 1060.00 mg/kg (Jenner et al., 1964)
Gavage-Mouse [sex: M,F] 1440.00 mg/kg (NTP, 1984a)
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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 : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 410.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 44000.00 (μg/capita/day) |
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| maximum skin levels for fine fragrances : |
| | 0.2900 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002)
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| Recommendation for methyl salicylate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| use level in formulae for use in cosmetics : |
| | 0.1300 %
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| Dermal Systemic Exposure in Cosmetic Products : |
| | 0.0034 mg/kg/day (IFRA, 2002)
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| Recommendation for methyl salicylate flavor usage levels up to : |
| | 8400.0000 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 |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | 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 |
| WISER : | UN 3082 |
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| WGK Germany : | 1 |
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| | methyl 2-hydroxybenzoate |
| BioActivity Analysis : | 73900 |
| dtp/nci : | 8204 |
| (EINECS) Number : | 204-317-7 |
| Chemidplus : | 000119368 |
| EPA Substance Registry Services : | 119-36-8 |
| RTECS : | 119-36-8 |
References :
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| | methyl 2-hydroxybenzoate |
| NIST Chemistry WebBook : | 2953080148 |
| Pubchem : | 151540 |
| Flavornet : | 119-36-8 |
Cosmetics :
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| Cosmetic Uses : |
denaturants
masking agents
perfuming agents
soothing agents
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Other :
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| CosIng : | cosmetic data |
| | C of A |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2918.23.0000 |
| FMA : | listed |
| Household Products : | Search |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |