Articles:
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tridecanoic acid, methyl ester
Notes:
None found
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| CAS Number: | 1731-88-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 217-054-8 | |
| FDA UNII: | O2H463RING | |
| Nikkaji Web: | J574F | |
| Beilstein Number: | 1769695 | |
| MDL: | MFCD00008977 | |
| XlogP3: | 6.30 (est) | |
| Molecular Weight: | 228.37556000 | |
| Formula: | C14 H28 O2 | |
| BioActivity Summary: | listing | |
| 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 |
| Specific Gravity: | 0.86500 to 0.87000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.206 to 7.248 |
| Refractive Index: | 1.43300 to 1.43600 @ 20.00 °C. |
| Melting Point: | 5.00 to 7.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 288.00 to 290.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 131.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 5.880 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store under nitrogen. |
| Storage: | refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in: | |
| alcohol | |
| water, 0.3631 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methyl Tridecanoate |
| Inoue Perfumery |
| METHYL TRIDECANOATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Methyl Tridecanoate |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| Methyl tridecanoate ≥97% (GC) |
| TCI AMERICA |
| For experimental / research use only. |
| Methyl Tridecanoate >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 - Wear eye/face protection. | |
| 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: | |
|
intravenous-mouse LDLo 48 mg/kg Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for methyl tridecanoate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl tridecanoate 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): | 1731-88-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 15608 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| methyl tridecanoate | |
| Chemidplus: | 0001731880 |
| RTECS: | YD3950000 for cas# 1731-88-0 |
References:
| methyl tridecanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15608 |
| Pubchem (sid): | 134980207 |
| Pherobase: | View |
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 |
| Golm Metabolome Database: | Search |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.90.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| methyl N-tridecanoate | |
| tridecanoic acid methyl ester | |
| tridecanoic acid, methyl ester |