2-n-Propylphenol Structure

2-n-Propylphenol

Chemical Properties

Melting point 7°C
Boiling point 224-226 °C (lit.)
Density  0.989 g/mL at 25 °C (lit.)
FLAVIS Number 04.046 | 2-Propylphenol
FEMA  3522 | O-PROPYLPHENOL
refractive index  n20/D 1.527(lit.)
Flash point 200 °F
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  clear liquid
pka pK1:10.5 (25°C)
color  Colorless to Light yellow
Odor at 0.10 % in propylene glycol. medicinal phenolic smoky
Odor Type phenolic
biological source synthetic
Water Solubility  1.664g/L(25 ºC)
JECFA Number 695
BRN  1363932
Henry's Law Constant 2.7×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
Major Application flavors and fragrances
InChI 1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey LCHYEKKJCUJAKN-UHFFFAOYSA-N
SMILES CCCc1ccccc1O
LogP 3.01
CAS DataBase Reference 644-35-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) O-PROPYLPHENOL
EWG's Food Scores 1
FDA UNII 333R6F6T3N
EPA Substance Registry System o-Propylphenol (644-35-9)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332-H315-H319-H335
Precautionary statements P261-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  SM8600000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071900
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
2
3 0

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2-n-Propylphenol Chemical Properties,Usage,Production

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