Pentadecanoic Acid - CAS 1002-84-2
Catalog: |
BB000157 |
Product Name: |
Pentadecanoic Acid |
CAS: |
1002-84-2 |
Synonyms: |
pentadecanoic acid; pentadecanoic acid |
IUPAC Name: | pentadecanoic acid |
Description: | Pentadecanoic Acid (CAS# 1002-84-2) is a saturated fatty acid. Pentadecanoic acid was utilized as a biomarker to examine for the intake of milk fat in relation to its metabolic risk factors. Pentadecanoic Acid that is also produced by certain plant species and acts as an toxic essential oil, which is known to exhibits potential anxiolytic, antinociceptive and antimicrobial properties. |
Molecular Weight: | 242.40 |
Molecular Formula: | C15H30O2 |
Canonical SMILES: | CCCCCCCCCCCCCCC(=O)O |
InChI: | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) |
InChI Key: | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
Boiling Point: | 339 ℃ |
Melting Point: | 52.3 °C |
Density: | 0.895 g/cm3 |
Appearance: | Powder or flakes |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00002745 |
LogP: | 5.16220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
EP-3842061-A1 | Stapled triazole co-agonists of the glucagon and glp-1 receptors | 20191223 |
US-2021189018-A1 | Hyaluronic acid derivatives | 20191220 |
US-2021189035-A1 | Acrylate Copolymer and Use Thereof | 20191220 |
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PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
22579554 | 20121026 | In vivo anthelmintic activity of Phytolacca icosandra against Haemonchus contortus in goats | Veterinary parasitology |
22897432 | 20120901 | Potential chemical markers for the identification of irradiated sausages | Journal of food science |
22823888 | 20120723 | Remodeling of central metabolism in invasive breast cancer compared to normal breast tissue - a GC-TOFMS based metabolomics study | BMC genomics |
21571934 | 20120401 | Description of Sinomonas soli sp. nov., reclassification of Arthrobacter echigonensis and Arthrobacter albidus (Ding et al. 2009) as Sinomonas echigonensis comb. nov. and Sinomonas albida comb. nov., respectively, and emended description of the genus Sinomonas | International journal of systematic and evolutionary microbiology |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.224580195 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.224580195 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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