2-Hexadecanone - CAS 18787-63-8
Catalog:
BB014459
Product Name:
2-Hexadecanone
CAS:
18787-63-8
Synonyms:
hexadecan-2-one
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1 g
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IUPAC Name: hexadecan-2-one
Description: 2-Hexadecanone (CAS# 18787-63-8) is a saturated long chain alkyl ketone. Studies show that 2-Hexadecanone is an excellent anticholesteremic that reduces serum cholesterol levels significantly without altering triglyceride levels. 2-Hexadecanone is a volatile constituent found in cooked meats as well as in essential oils from various flowers and plants.
Molecular Weight: 240.42
Molecular Formula: C16H32O
Canonical SMILES: CCCCCCCCCCCCCCC(=O)C
InChI: InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
InChI Key: XCXKZBWAKKPFCJ-UHFFFAOYSA-N
Boiling Point: 138-140 °C / 2 mmHg (lit.)
Melting Point: 43 - 43.5 °C
Density: 0.829 g/cm3
Solubility: 0.1497 mg/L at 25 °C (est)
Appearance: White to off-white crystalline flakes
MDL: MFCD00042873
LogP: 5.66660
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PMID Publication Date Title Journal
22039541 20110101 Investigation by imaging mass spectrometry of biomarker candidates for aging in the hair cortex PloS one
12921441 20030701 Identification of the female-produced sex pheromone of the scarab beetle, Hoplia equina Journal of chemical ecology
11397517 20010701 The absorption, distribution and excretion of 1- and 2- Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
Complexity: 163
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 240.24531564
Formal Charge: 0
Heavy Atom Count: 17
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 240.24531564
Rotatable Bond Count: 13
Topological Polar Surface Area: 17.1
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 6.8
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