HEPTADECANOIC ACID

Details:

Melting point     59-61 °C(lit.)
Boiling point     227 °C100 mm Hg(lit.)
density     0,853 g/cm3
refractive index     1.4348 (589.3 nm 40℃)
Fp     227°C/100mm
storage temp.     room temp
pka    4.78±0.10(Predicted)
form     Shiny Flakes or Crystalline Powder
color     White to off-white
Water Solubility     Soluble in ether. Slightly soluble in alcohol. Insoluble in water
Merck     14,5751
BRN     1781004
Stability:    Stable. Incompatible with bases, oxidizing agents, reducing agents.
InChIKey    KEMQGTRYUADPNZ-UHFFFAOYSA-N
CAS DataBase Reference    506-12-7(CAS DataBase Reference)
EPA Substance Registry System    Heptadecanoic acid (506-12-7)
Safety Information
Hazard Codes     Xi
Risk Statements     36/37/38
Safety Statements     26-36
WGK Germany     3
RTECS     MI3850000
TSCA     Yes
HS Code     29159000
Toxicity    LD50 i.v. in mice: 360.3 mg/kg (Or, Wretlind)
MSDS Information
Provider    Language
SigmaAldrich    English
ACROS    English
ALFA    English
HEPTADECANOIC ACID Usage And Synthesis
Description    Heptadecanoic acid, or margaric acid, is a saturated fatty acid. Its molecular formula is CH3(CH2)15COOH. It occurs as a trace component of the fat and milkfat of ruminants, but it does not occur in any natural animal or vegetable fat at concentrations over half a percent. Salts and esters of heptadecanoic acid are called heptadecanoates.
Chemical Properties    off-white powder
Uses    Heptadecanoic acid is a saturated fatty acid and occurs as a trace component of the fat in ruminants.
Uses    Margaric acid (Heptadecanoic acid, C17) may be used as a reference during the analysis of medium-chain fatty acids from biomaterials such as seed oils and plant and animal oils.
Definition    ChEBI: A C17 saturated fatty acid and trace component of fats in ruminants.
Synthesis Reference(s)    Synthetic Communications, 20, p. 3359, 1990 DOI: 10.1080/00397919008051571
Purification Methods    Crystallise the acid from MeOH or pet ether. [Beilstein 2 IV 1193.]
HEPTADECANOIC ACID Preparation Products And Raw materials
Raw materials    2,2-DICHLOROOCTADECANAL-->2,2-DICHLOROOCTADECANOIC ACID-->Octadecanoic acid, 2-hydroxy-, methyl ester, (2R)--->DL-A-HYDROXYSTEARIC ACID-->2-METHYLHEXADECANOIC ACID-->1-HEPTADECANOL
Preparation Products    heptadecanal