3780-50-5

Name 4-Octyloxyphenol
CAS 3780-50-5
EINECS(EC#) 223-243-6
Molecular Formula C14H22O2
MDL Number MFCD00045779
Molecular Weight 222.32
MOL File 3780-50-5.mol
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Chemical Properties

Melting point  80°C
Boiling point  127 °C / 3mmHg
density  0.9906 (rough estimate)
refractive index  1.4840 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 10.34±0.15(Predicted)
color  White to Light yellow to Light orange
InChI InChI=1S/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3
InChIKey HFRUPPHPJRZOCM-UHFFFAOYSA-N
SMILES C1(O)=CC=C(OCCCCCCCC)C=C1
CAS DataBase Reference 3780-50-5(CAS DataBase Reference)
EPA Substance Registry System 3780-50-5(EPA Substance)

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 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  WGK 3
TSCA  Yes
HS Code  29095000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

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