Capryloyl salicylic acid - CAS 78418-01-6
Catalog: |
BB053871 |
Product Name: |
Capryloyl salicylic acid |
CAS: |
78418-01-6 |
Synonyms: |
Capryloyl salicylic acid; 5-Octanoylsalicylic acid |
IUPAC Name: | 2-hydroxy-5-octanoylbenzoic acid |
Molecular Weight: | 264.32 |
Molecular Formula: | C15H20O4 |
Canonical SMILES: | CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O |
InChI: | InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19) |
InChI Key: | IXIGWKNBFPKCCD-UHFFFAOYSA-N |
Boiling Point: | 454.823°C at 760 mmHg |
Purity: | ≥ 98% |
Density: | 1.144 g/cm3 |
Appearance: | White to Off-white Powder |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P333+P313, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.13615911 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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