506-12-7

Name HEPTADECANOIC ACID
CAS 506-12-7
EINECS(EC#) 208-027-1
Molecular Formula C17H34O2
MDL Number MFCD00002751
Molecular Weight 270.45
MOL File 506-12-7.mol
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Chemical Properties

Appearance off-white powder
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
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Shiny Flakes or Crystalline Powder
pka 4.78±0.10(Predicted)
color  White to off-white
Stability: Stable. Incompatible with bases, oxidizing agents, reducing agents.
biological source synthetic
Water Solubility  Soluble in ether. Slightly soluble in alcohol. Insoluble in water
Specific Heat Capacity Cp(crystal):1.75892J/(g·K),at 25℃
Merck  14,5751
BRN  1781004
Henry's Law Constant 3.8×10-1 mol/(m3Pa) at 25℃, Abraham (2003)
InChI 1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey KEMQGTRYUADPNZ-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCC(O)=O
LogP 7.320 (est)
CAS DataBase Reference 506-12-7(CAS DataBase Reference)
EPA Substance Registry System Heptadecanoic acid (506-12-7)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  MI3850000
TSCA  Yes
HS Code  29159000
Storage Class 11 - Combustible Solids
Toxicity
LD50 i.v. in mice: 360.3 mg/kg (Or, Wretlind)

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