methyl 5-methyl salicylate
petunial
Identification
| Name | methyl 5-methyl salicylate |
| IUPAC | methyl 2-hydroxy-5-methylbenzoate |
| CAS Number | 22717-57-3 |
| EINECS | 245-173-5 |
| FDA UNII | 8GMK8QL99V |
| Molecular Formula | C9 H10 O3 |
| Molecular Weight | 166.17630000 |
| MDL Number | MFCD00016485 |
| Nikkaji Number | J286.282D |
| XlogP3 | 3.10 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -1.00 °C. @ 760.00 mm Hg |
| Boiling Point | 244.50 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point | 209.00 °F. TCC ( 98.50 °C. ) (est) |
| logP (o/w) | 3.157 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for methyl 5-methyl salicylate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzoic acid, 2-hydroxy-5-methyl-, methyl ester
2,5-
cresotic acid methyl ester
2,5-
cresotic acid, methyl ester
methyl 2-hydroxy-5-methylbenzoate
methyl 5-methylsalicylate
methyl 6-hydroxy-m-toluate
methyl 6-hydroxy-meta-toluate
methyl-5-methyl salicylate
methyl-5-methylsalicylate
5-
methylsalicylic acid methyl ester
petunial
PubMed:
Preparation of polypyrrole composite solid-phase microextraction fiber coatings by sol-gel technique for the trace analysis of polar biological volatile organic compounds.
PubMed:
Quantitative correlation of counterion (X) affinity to ionic micelles and X- and temperature-induced micellar growth (spherical-wormlike micelles-vesicles) for X = 5-methyl- and 5-methoxysalicylate ions.
PubMed:
Salicylate 5-hydroxylase from Ralstonia sp. strain U2: a monooxygenase with close relationships to and shared electron transport proteins with naphthalene dioxygenase.