4-Propylphenol Structure

4-Propylphenol

Chemical Properties

Melting point 22 °C
Boiling point 232 °C
Density  0.983 g/mL at 25 °C (lit.)
refractive index  1.52
FLAVIS Number 04.050 | 4-Propylphenol
FEMA  3649 | P-PROPYLPHENOL
Flash point 106 °C - closed cup
storage temp.  Inert atmosphere,Room Temperature
pka 9.99±0.13(Predicted)
form  powder to lump to clear liquid
color  White or Colorless to Light yellow
Specific Gravity 0.99
Odor at 0.10 % in propylene glycol. medicinal phenolic
Odor Type phenolic
biological source synthetic
Water Solubility  1.427g/L(25 ºC)
JECFA Number 696
BRN  1363429
Henry's Law Constant 1.7×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
InChI 1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKey KLSLBUSXWBJMEC-UHFFFAOYSA-N
SMILES CCCc1ccc(O)cc1
LogP 3.01
CAS DataBase Reference 645-56-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) P-PROPYLPHENOL
EWG's Food Scores 1
FDA UNII H27VG833JY
NIST Chemistry Reference Phenol, 4-propyl-(645-56-7)
EPA Substance Registry System p-Propylphenol (645-56-7)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302+H312+H332-H315-H318-H335-H412
Precautionary statements P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-28-36/37/39-45-36
RIDADR  UN 3145 8/PG 3
WGK Germany  3
RTECS  SM8610000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  2907199090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
3 0

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4-Propylphenol Chemical Properties,Usage,Production

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