693-72-1

Name TRANS-11-OCTADECENOIC ACID
CAS 693-72-1
EINECS(EC#) 211-758-9
Molecular Formula C18H34O2
MDL Number MFCD00002734
Molecular Weight 282.46
MOL File 693-72-1.mol
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Chemical Properties

Melting point  44℃
Boiling point  397.91°C (estimate)
density  0.8563
refractive index  1.4472 (589.3 nm 50℃)
Fp  113 °C
storage temp.  −20°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Liquid
pka 4.78±0.10(Predicted)
color  Clear Colourless
biological source synthetic (organic)
Merck  13,9965
InChI 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
InChIKey UWHZIFQPPBDJPM-BQYQJAHWSA-N
SMILES CCCCCC\C=C/CCCCCCCCCC(O)=O
CAS DataBase Reference 693-72-1(CAS DataBase Reference)

Safety Data

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  1
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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