Sebacic acid - CAS 111-20-6
Catalog: |
BB002738 |
Product Name: |
Sebacic acid |
CAS: |
111-20-6 |
Synonyms: |
decanedioic acid |
Application: |
anti-HIV activity; |
IUPAC Name: | decanedioic acid |
Description: | Decanedioic acid isolated from the herbs of Piper cubeba. It is an intermediate of aromatics, antiseptics, and painting materials, also a cross-linking agent for epoxy resins. |
Molecular Weight: | 202.25 |
Molecular Formula: | C10H18O4 |
Canonical SMILES: | C(CCCCC(=O)O)CCCC(=O)O |
InChI: | InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) |
InChI Key: | CXMXRPHRNRROMY-UHFFFAOYSA-N |
Boiling Point: | 294.5 °C100 mmHg (lit.) |
Melting Point: | 133-137 °C (lit.) |
Flash Point: | 220 °C |
Purity: | > 98 % |
Density: | 1.21 g/cm3 |
Solubility: | less than 1 mg/mL at 70 °F |
Appearance: | Powder |
Storage: | Store below +30 °C. |
MDL: | MFCD00004440 |
LogP: | 2.27640 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.422 |
Vapor Pressure: | 1 mmHg at 361 °F ; 100 mmHg at 562.1 °F; 760 mmHg at 666.1 °F |
GHS Hazard Statement: | Not Classified |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
30114225 | 20180101 | Activation of Nrf2 in the liver is associated with stress resistance mediated by suppression of the growth hormone-regulated STAT5b transcription factor | PloS one |
26820058 | 20160401 | Benzyl butyl phthalate promotes adipogenesis in 3T3-L1 preadipocytes: A High Content Cellomics and metabolomic analysis | Toxicology in vitro : an international journal published in association with BIBRA |
24374570 | 20140303 | Metabonomic analysis of quercetin against the toxicity of chronic exposure to low-level dichlorvos in rats via ultra-performance liquid chromatography-mass spectrometry | Toxicology letters |
23066314 | 20121007 | Repair of bile duct defect with degradable stent and autologous tissue in a porcine model | World journal of gastroenterology |
22516713 | 20120801 | Thermosensitive hydrogel based on poly(ether-ester anhydride) nanoparticle as drug delivery system: preparation, characterization and biocompatibility | Colloids and surfaces. B, Biointerfaces |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.12050905 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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