compound introduction
十五烷酸是一种含有十五个碳原子的直链饱和脂肪酸。它具有植物代谢物、食物组分、大型溞代谢物、藻类代谢物和人类血液血清代谢物的作用。它是一种长链脂肪酸和直链饱和脂肪酸。它是十五烷酸的共轭酸。
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
pentadecanoic acid
Dangerous GoodsCAS number：1002-84-2 molecular formula：C15H30O2
overview
Specs
| Chinese alias | 正十五烷酸、十五碳酸 | ||
| English alias | Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC | ||
| CAS number | 1002-84-2 | molecular formula | C15H30O2 |
| molecular weight | 242.40 | Exact mass | - |
| PSA | 37.3 | logp | 5.8 |
numbering system
| CAS | 1002-84-2 |
| UNII | CCW02D961F |
| HMDB ID | HMDB0000826 |
| KEGG ID | C16537 |
| ChEBI ID | 42504 |
| Wikidata | Q418951 |
| ChEMBL ID | CHEMBL460025 |
| Wikipedia | Pentadecylic_acid |
| NSC Number | NSC Number: NSC28486 |
| FEMA Number | FEMA Number: 4334 |
| PubChem CID | 13849 |
| MetaboLights | MTBLC42504 |
| Nikkaji Number | J3.656K |
| NCI Thesaurus Code | C68413 |
| DSSTox Substance ID | DTXSID2021652 |
| Lipid Maps ID (LM_ID) | LMFA01010015 |
| Metabolomics Workbench ID | 37 |
| European Community (EC) Number | 213-693-1 |
| PubChem Reference Collection SID | 500814757 |
| MEP ID | _25Q1B3CS0 |
physicochemical properties
| XLogP3 | 5.8 |
| Complexity | 166 |
| Exact Mass | 242.224580195 |
| Formal Charge | 0 |
| Melting Point | 53 °C |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Chemical Classes | Other Classes -> Organic Acids |
| Heavy Atom Count | 17 |
| Molecular Weight | 242.40 |
| Monoisotopic Mass | 242.224580195 |
| Isotope Atom Count | 0 |
| Physical Description | Solid |
| Rotatable Bond Count | 13 |
| Kovats Retention Index | Standard polar: 2805 |
| Collision Cross Section | 165.1 Ų [M-H]- |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 37.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Pentadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information：
Chemical Assessment: Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories：
STOT SE 3 (95.7%)
Protective Action Criteria (PAC)：
PAC-3: 12 [mg/m3]
Production methods and uses
purpose
Uses：
Sources/Uses: In serum as a marker for intake of milk fat. [ChemIDplus]
Consumer Uses：
Binder
Industry Uses：
Anti-static agent
Use Classification：
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information：
Industry Processing Sectors: Plastics Product Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
1002-84-2 | Pentadecanoic acid.pdf
