Articles:
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cis-2-butene-1,2,3-tricarboxylic acid
Notes:
cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742) [HMDB]
| CAS Number: | 6061-93-4 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J678.271J | |
| XlogP3-AA: | -0.60 (est) | |
| Molecular Weight: | 188.13596000 | |
| Formula: | C7 H8 O6 | |
| NMR Predictor: | Predict (works with chrome, Edge 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 5.644e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 alpha-methyl-cis-aconitate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for alpha-methyl-cis-aconitate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3080625 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (Z)-but-2-ene-1,2,3-tricarboxylic acid | |
| Chemidplus: | 0006061934 |
References:
| (Z)-but-2-ene-1,2,3-tricarboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3080625 |
| Pubchem (cas): | 6061-93-4 |
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 |
| KEGG (GenomeNet): | C04225 |
| HMDB (The Human Metabolome Database): | HMDB06357 |
| FooDB: | FDB023904 |
| YMDB (Yeast Metabolome Database): | YMDB00380 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (Z)- | but-2-ene-1,2,3-tricarboxylic acid |
| cis-2- | butene-1,2,3-tricarboxylic acid |
| 2- | butene-1,2,3-tricarboxylic acid, (Z)- |
| alpha- | methyl aconitate |