Articles:
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1,2,3-propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester
Notes:
None found
| CAS Number: | 82469-79-2 |  3D/inchi
|
| FDA UNII: | M4974DI70C | |
| XlogP3-AA: | 7.40 (est) | |
| Molecular Weight: | 514.70010000 | |
| Formula: | C28 H50 O8 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: emollients, plasticisers
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 |
| Specific Gravity: | 0.99300 @ 25.00 °C. |
| Refractive Index: | 1.44800 @ 20.00 °C. |
| Boiling Point: | 522.30 °C. @ 760.00 mm Hg (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 9.303 (est) |
| Soluble in: | |
| water, 5.561e-005 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
plasticisers skin conditioning - emollient |
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: | emollients, plasticisers | ||
| Recommendation for butyroyl trihexyl citrate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for butyroyl trihexyl citrate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 82469-79-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 133914 |
| National Institute of Allergy and Infectious Diseases: | Data |
| trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate | |
| Chemidplus: | 0082469792 |
References:
| trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 133914 |
| Pubchem (sid): | 135087898 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2918.15.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| butyryl trihexyl citrate | |
| butyryl-N-trihexyl citrate | |
| butyryl-N-trihexylcitrate | |
| 1,2,3- | propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester |
| trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate | |
| trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate | |
| trihexyl ortho-butyryl citrate |