Tìm theo
Caprylic acid
Các tên gọi khác (14 ) :
  • capryloate
  • Caprylsaeure
  • Enantic acid
  • Kaprylsaeure
  • n-caprylic acid
  • n-octanoic acid
  • n-Octoic acid
  • n-octylic acid
  • neo-fat 8
  • octanoate
  • octanoic acid
  • Octic acid
  • octoic acid
  • Octylic acid
Thuốc Gốc
Small Molecule
CAS: 124-07-2
CTHH: C8H16O2
PTK: 144.2114
Caprylic acid is the common name for the eight-carbon straight chain fatty acid known by the systematic name octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid-like smell that is minimally soluble in water.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H16O2
Phân tử khối
144.2114
Monoisotopic mass
144.115029756
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChI Key
InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N
IUPAC Name
octanoic acid
Traditional IUPAC Name
caprylic acid
SMILES
CCCCCCCC(O)=O
Độ tan chảy
16.3 °C
Độ sôi
239 °C
Độ hòa tan
789 mg/L (at 30 °C)
logP
3.05
logS
-2.2
pKa (strongest acidic)
5.19
PSA
37.3 Å2
Refractivity
40.28 m3·mol-1
Polarizability
17.4 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
pKa
4.89 (at 25 °C)
Độc Tính : Oral rat LD50: 10080 mg/kg. Intravenous mouse LD50: 600 mg/kg. Skin rabbit LD50: over 5000 mg/kg.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04519
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=379
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507647
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C06423
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D05220
Wikipedia
http://en.wikipedia.org/wiki/Caprylic_acid
... loading
... loading