104-45-0

Name 4-N-PROPYLANISOLE
CAS 104-45-0
EINECS(EC#) 203-203-4
Molecular Formula C10H14O
MDL Number MFCD00027121
Molecular Weight 150.22
MOL File 104-45-0.mol
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Chemical Properties

Melting point  45-46 °C
Boiling point  215 °C(lit.)
density  0.941 g/mL at 25 °C(lit.)
FEMA  2930
refractive index  n20/D 1.504(lit.)
Fp  194 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Very slightly soluble in water, soluble in alcohol and oils
color  Colorless liquid
Odor at 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel
biological source synthetic
Odor Type anisic
JECFA Number 1244
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey KBHWKXNXTURZCD-UHFFFAOYSA-N
SMILES CCCc1ccc(OC)cc1
LogP 3.66
CAS DataBase Reference 104-45-0(CAS DataBase Reference)
EPA Substance Registry System p-Propylanisole (104-45-0)
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Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H411
Precautionary statements  P273-P391-P501
Hazard Codes  N
Risk Statements 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany  2
RTECS  BZ9450000
TSCA  TSCA listed
REACH Registrations Active
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
Safety Profile
Mildly toxic by ingestion. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
The acute oral LD50 value was reported as 4.4 g/kg (3.38-5.72 g/kg) in the rat and as 7.30 g/kg (5.93-9.00 g/kg) in the mouse (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974).

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