Articles:
1-butanone, 1-(2,4,5-trihydroxyphenyl)-
Notes:
Antioxidant, esp. for fats and oils. Potential food packaging migration residue
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| CAS Number: | 1421-63-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 215-824-8 | |
| FDA UNII: | KN729W3LR0 | |
| Nikkaji Web: | J40.577I | |
| Beilstein Number: | 2577028 | |
| MDL: | MFCD00020019 | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 196.20244000 | |
| Formula: | C10 H12 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: antioxidants
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2,4,5-TRIHYDROXYBUTYROPHENONE 95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1-(2,4,5-Trihydroxyphenyl)-1-butanone ≥97% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1-(2,4,5-Trihydroxyphenyl)-1-butanone |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
intraperitoneal-mouse LD50 200 mg/kg National Technical Information Service. Vol. AD277-689 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| 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. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1421-63-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 15008 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-(2,4,5-trihydroxyphenyl)butan-1-one | |
| Chemidplus: | 0001421632 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | EU5425000 for cas# 1421-63-2 |
References:
| 1-(2,4,5-trihydroxyphenyl)butan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15008 |
| Pubchem (sid): | 134979166 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37177 |
| FooDB: | FDB016173 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
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 |