Hexadecanedioic Acid - CAS 505-54-4
Catalog: |
BB027113 |
Product Name: |
Hexadecanedioic Acid |
CAS: |
505-54-4 |
Synonyms: |
hexadecanedioic acid; hexadecanedioic acid |
Application: |
This product is suitable for scientific research. |
IUPAC Name: | hexadecanedioic acid |
Description: | Hexadecanedioic Acid (CAS# 505-54-4) is a useful research intermediate for the studies of blood pressure regulations in humans. Hexadecandedioate works in collaboration with SLCO1B1 as a potential therapy for statin. |
Molecular Weight: | 286.41 |
Molecular Formula: | C16H30O4 |
Canonical SMILES: | C(CCCCCCCC(=O)O)CCCCCCC(=O)O |
InChI: | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
InChI Key: | QQHJDPROMQRDLA-UHFFFAOYSA-N |
Boiling Point: | 451.08 ℃ (rough estimate) |
Melting Point: | 120-123 ℃ (lit.) |
Flash Point: | 244.6ºC |
Purity: | > 97.0 % (GC) (T) |
Density: | 1.0351 (rou gh estimate) |
Solubility: | 1.494 mg/L at 25 °C (est) |
Appearance: | White to almost white powder to crystal |
Storage: | 2-8 ℃ |
MDL: | MFCD00002746 |
LogP: | 4.61700 |
Quality Standard: | 200 |
Refractive Index: | 1.4485 (estimate) |
Stability: | Stable. Incompatible with bases, oxidizing agents, reducing agents. Combustible. |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: Wash with plenty of soap and water. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP]. |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21932777 | 20111206 | Stable vesicles composed of monocarboxylic or dicarboxylic fatty acids and trimethylammonium amphiphiles | Langmuir : the ACS journal of surfaces and colloids |
22272093 | 20110101 | Effects of conjugated linoleic acid, fish oil and soybean oil on PPARs (α & γ) mRNA expression in broiler chickens and their relation to body fat deposits | International journal of molecular sciences |
20086189 | 20100101 | Cytochrome P450 family member CYP704B2 catalyzes the {omega}-hydroxylation of fatty acids and is required for anther cutin biosynthesis and pollen exine formation in rice | The Plant cell |
19106184 | 20090303 | Analysis of the hibernation cycle using LC-MS-based metabolomics in ground squirrel liver | Physiological genomics |
18701306 | 20080901 | Synthesis and bio-evaluation of a new fatty acid derivative for myocardial imaging | Bioorganic & medicinal chemistry |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.21440943 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.21440943 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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