3,5-dimethyl-4-hydroxybenzonitrile
benzonitrile, 3,5-dimethyl-4-hydroxy-
Identification
| Name | 3,5-dimethyl-4-hydroxybenzonitrile |
| IUPAC | 4-hydroxy-3,5-dimethylbenzonitrile |
| CAS Number | 4198-90-7 |
| FDA UNII | Search |
| Molecular Formula | C9 H9 N O |
| Molecular Weight | 147.17693000 |
| MDL Number | MFCD00221716 |
| Nikkaji Number | J87.866I |
| Beilstein | 2574734 |
| XlogP3 | 1.10 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 310.60 °C. @ 760.00 mm Hg (est) |
| Flash Point | 287.00 °F. TCC ( 141.70 °C. ) (est) |
| logP (o/w) | 2.520 (est) |
| Soluble in | water, 789.7 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 650 mg/kg |
| 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 | pharmaceuticals / chemical synthisis |
| Recommendation for 3,5-dimethyl-4-hydroxybenzonitrile usage levels up to | not for fragrance use. |
| Recommendation for 3,5-dimethyl-4-hydroxybenzonitrile flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzonitrile, 3,5-dimethyl-4-hydroxy-
4-
hydroxy-3,5-dimethylbenzonitrile
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