2,4,5-trimethyl phenol
pseudocumenol
Identification
| Name | 2,4,5-trimethyl phenol |
| IUPAC | 2,4,5-trimethylphenol |
| CAS Number | 496-78-6 |
| EINECS | 207-832-5 |
| FDA UNII | 3PCA9E425C |
| Molecular Formula | C9 H12 O |
| Molecular Weight | 136.19384000 |
| MDL Number | MFCD00020050 |
| Nikkaji Number | J6.099B |
| Beilstein | 2040904 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 72.00 °C. @ 760.00 mm Hg |
| Boiling Point | 232.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.040000 mmHg @ 25.00 °C. (est) |
| Flash Point | 216.00 °F. TCC ( 102.30 °C. ) (est) |
| logP (o/w) | 2.899 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
| Taste Description | phenolic |
Safety Information
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD > 500 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 | natural substances and extractives |
| Recommendation for 2,4,5-trimethyl phenol usage levels up to | not for fragrance use. |
| Recommendation for 2,4,5-trimethyl phenol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
pseudo
cumenol
1-
hydroxy-2,4,5-trimethyl benzene
1-
hydroxy-2,4,5-trimethylbenzene
5-
hydroxypseudocumene
phenol, 2,4,5-trimethyl-
2,4,5-
trimethylphenol
US Patents:
3,946,080 - Flavouring and perfuming ingredients
PubMed:
Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene.
US Patents:
Furfurylthioacetone