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butyric acid, 3-hydroxy- (8CI)
Notes:
butyric acid substituted in the beta or 3 position. it is one of the ketone bodies produced in the liver. 3-Hydroxybutanoic acid is a ketone body. It is a chiral compound having two enantiomers. The concentration of beta-hydroxybutyrate, like that of other ketone bodies, is increased in ketosis. In humans, beta-hydroxybutyrate is synthesized in the liver from acetyl-CoA in a reaction catalyzed by the enzyme beta-hydroxybutyrate dehydrogenase and can be used as an energy source by the brain when blood glucose is low. Diabetic patients can have their ketone levels tested via urine or blood to indicate diabetic ketoacidosis. In alcoholic ketoacidosis, this ketone body is produced in greatest concentration. Both types of ketoacidosis result in an increasebeta-hydroxybutyrate to oxaloacetate ratio, resulting in TCA cycle stalling and shifting of glucose towards ketone body production. [Wikipedia]
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| Flavor Demo Formulas | ||
| CAS Number: | 300-85-6 |  3D/inchi
|
| Other(deleted CASRN): | 625-71-8 | |
| ECHA EINECS - REACH Pre-Reg: | 206-099-9 | |
| FDA UNII: | TZP1275679 | |
| Nikkaji Web: | J4.451B | |
| Beilstein Number: | 773861 | |
| MDL: | MFCD00004546 | |
| XlogP3-AA: | -0.50 (est) | |
| Molecular Weight: | 104.10536000 | |
| Formula: | C4 H8 O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | white to tan crystalline solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 46.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 269.00 to 270.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 250.00 °F. TCC ( 121.00 °C. ) (est) |
| logP (o/w): | -0.764 (est) |
| Soluble in: | |
| water, 1e+006 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. |
| 3-HYDROXYBUTYRIC ACID >75.0%(T) |
| EMD Millipore |
| For experimental / research use only. |
| 3-Hydroxybutyric Acid |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Hydroxybutyric Acid |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Hydroxybutyric acid 95% |
| TCI AMERICA |
| For experimental / research use only. |
| DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product) >75.0%(T) |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 3-hydroxybutyric acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-hydroxybutyric acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Report of EFSA on the risk assessment of salts of authorised acids, phenols or alcohols for use in food contact materials [1] View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 300-85-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 441 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-hydroxybutanoic acid | |
| Chemidplus: | 0000300856 |
References:
| 3-hydroxybutanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 300-85-6 |
| Pubchem (cid): | 441 |
| Pubchem (sid): | 134975448 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C01089 |
| HMDB (The Human Metabolome Database): | HMDB00357 |
| FooDB: | FDB021797 |
| YMDB (Yeast Metabolome Database): | YMDB01561 |
| Export Tariff Code: | 2918.19.9890 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| butanoic acid, 3-hydroxy- | |
| butyric acid, 3-hydroxy- (8CI) | |
| b- | hydroxy-N-butyric acid |
| DL-3- | hydroxy-N-butyric acid |
| 3- | hydroxybutanoic acid |
| b- | hydroxybutanoic acid |
| (1)-3- | hydroxybutyric acid |
| b- | hydroxybutyric acid |
| beta- | hydroxybutyric acid |
| dextro,laevo-beta- | hydroxybutyric acid |
| DL-3- | hydroxybutyric acid |
| 3- | hydroxybutyricacid |