2,4,5-trihydroxybutyrophenone
1-butanone, 1-(2,4,5-trihydroxyphenyl)-
Identification
| Name | 2,4,5-trihydroxybutyrophenone |
| IUPAC | 1-(2,4,5-trihydroxyphenyl)butan-1-one |
| CAS Number | 1421-63-2 |
| EINECS | 215-824-8 |
| FDA UNII | KN729W3LR0 |
| Molecular Formula | C10 H12 O4 |
| Molecular Weight | 196.20244000 |
| MDL Number | MFCD00020019 |
| Nikkaji Number | J40.577I |
| Beilstein | 2577028 |
Regulatory
| FDA Mainterm (SATF) | 1421-63-2 ; 2,4,5-TRIHYDROXYBUTYROPHENONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | yellow tan crystalline powder (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 149.00 to 153.00 °C. @ 760.00 mm Hg |
| Boiling Point | 409.00 to 410.00 °C. @ 760.00 mm Hg (est) |
| Flash Point | 420.00 °F. TCC ( 215.40 °C. ) (est) |
| logP (o/w) | 1.872 (est) |
| Soluble in | water, 3459 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 200 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 | antioxidants |
| Recommendation for 2,4,5-trihydroxybutyrophenone usage levels up to | not for fragrance use. |
| Recommendation for 2,4,5-trihydroxybutyrophenone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1-
butanone, 1- (2,4,5-trihydroxyphenyl)-
1-
butanone, 1-(2,4,5-trihydroxyphenyl)-
butyrophenone, 2',4',5'-trihydroxy-
THBP
2',4',5'-
trihydroxybutyrophenone
1-(2,4,5-
trihydroxyphenyl)-1-butanone
1-(2,4,5-
trihydroxyphenyl)butan-1-one
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