pentadecanal - CAS 2765-11-9
Catalog: |
BB053808 |
Product Name: |
pentadecanal |
CAS: |
2765-11-9 |
Synonyms: |
1-pentadecanal; n-pentadecanal |
IUPAC Name: | pentadecanal |
Molecular Weight: | 226.40 |
Molecular Formula: | C15H30O |
Canonical SMILES: | CCCCCCCCCCCCCCC=O |
InChI: | InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3 |
InChI Key: | XGQJZNCFDLXSIJ-UHFFFAOYSA-N |
Boiling Point: | 285.1±3.0 °C at 760 mmHg |
Melting Point: | 24 - 25 °C |
Purity: | >97% by GC |
Density: | 0.8±0.1 g/cm3 |
Appearance: | White Powder |
LogP: | 6.518 (est) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.229665576 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.229665576 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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