4-N-OCTYLPHENOL Structure

4-N-OCTYLPHENOL

Chemical Properties

Melting point 44-45 °C(lit.)
Boiling point 150 °C4 mm Hg(lit.)
Density  0.961 g/mL at 25 °C(lit.)
RTECS  SM5787000
refractive index  1.5052 (estimate)
Flash point >230 °F
storage temp.  room temp
solubility  Chloroform (Slightly) DMSO (Slightly), Methanol (Slightly)
form  solid
pka 10.15±0.15(Predicted)
Specific Gravity 0.961
color  White to Dark Beige
Water Solubility  Insoluble in water.
Henry's Law Constant 1.3×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
Stability Stable. Incompatible with strong oxidizing agents. Combustible.
InChI 1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
InChIKey NTDQQZYCCIDJRK-UHFFFAOYSA-N
SMILES CCCCCCCCc1ccc(O)cc1
LogP 5.633 (est)
CAS DataBase Reference 1806-26-4(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances OCTYLPHENOL, P-
FDA 21 CFR 175.300; 177.2410
EWG's Food Scores 2
FDA UNII 7DF2B8LH3P
EPA Substance Registry System p-Octylphenol (1806-26-4)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26-36
RIDADR  UN 2430 8/PG 2
WGK Germany  3
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071390
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
Hazardous Substances Data 1806-26-4(Hazardous Substances Data)
NFPA 704:
1
3 0

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