4-Propylanisole
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4-Propylanisole
structure -
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CAS No:
104-45-0
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Formula:
C10H14O
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Chemical Name:
4-Propylanisole
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Synonyms:
Benzene,1-methoxy-4-propyl-;Anisole,p-propyl-;1-Methoxy-4-propylbenzene;Dihydroanethole;p-Propylanisole;4-Propylanisole;4-n-Propylanisole;Methyl p-propylphenyl ether;p-Propylphenol methyl ether;4-Methoxy-1-propylbenzene;NSC 37996
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CAS No:
Description
p-Propyl anisole has a characteristic anise-type odor with a sassafras undertone.
colourless to pale yellow liquid, Sweet herbaceous quite powerful aroma
1-Methoxy-4-propylbenzene is a member of methoxybenzenes.
Characteristics
9.23000
2.64770
colourless to pale yellow liquid, Sweet herbaceous quite powerful aroma
0.9312 g/cm3 @ Temp: 20 °C
45-46 °C
211.5 °C
194 °F
n 20/D 1.504(lit.)
Slightly soluble in water, Miscible in oils
0.266mmHg at 25°C
The acute oral LD 50 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 LD 50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974).
Safety Information
UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
2
R51/53
61
BZ9450000
N
4-Propylanisole Use and Manufacturing
Benzene, 1-methoxy-4-propyl-: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:150.22
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:93
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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