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  • 4-Methoxyacetophenone
Name:4-Methoxyacetophenone
CAS No:100-06-1

PRODUCT DESCRIPTION

【Name】
4'-Methoxyacetophenone
【Iupac name】
1-(4-methoxyphenyl)ethanone
【CAS Registry number】
100-06-1
【Synonyms】
Acetophenone,4'-methoxy- (8CI)
Benzophenone, p-methoxy- (3CI)
1-(4-Methoxyphenyl)ethanone
1-Acetyl-4-methoxybenzene
4-Acetylanisole
4-Methoxyphenyl methyl ketone
Acetoanisole
Linarodin
Methyl 4-methoxyphenyl ketone
Methyl p-methoxyphenyl ketone
Novatone
Vananote
p-Acetylanisole
p-Anisyl methyl ketone
p-Methoxy(acetyl)benzene
p-Methoxyacetophenone
p-Methoxyphenyl methyl ketone
para-Methoxyacetophenone
【EINECS(EC#)】
202-815-9
【Molecular Formula】
C9H10O2 (Products with the same molecular formula)
【Molecular Weight】
150.17
【Inchi】
InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
【InChIKey】
NTPLXRHDUXRPNE-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC=C(C=C1)OC
【MOL File】
100-06-1.mol

Chemical and Physical Properties

【Appearance】
White crystalline
【Density】
1.035 g/cm3
【Melting Point】
36-39℃
【Boiling Point】
260℃
【Vapour】
0.0155mmHg at 25°C
【Refractive Index】
1.547 (41 C)
【Flash Point】
138℃
【Water】
insoluble
【Solubilities】
Insoluble in water
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions. May discolor on exposure to light.
【HS Code】
29145000
【Storage temp】
Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:150.1745 [g/mol]
Molecular Formula:C9H10O2
XLogP3:1.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:150.06808
MonoIsotopic Mass:150.06808
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Formal Charge:0
Complexity:135
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/38
【Safety Statements 】
S26;S37/39
【Safety】

Moderately toxic by ingestion. Human systemic effects by inhalation: pulse rate increase without fall in blood pressure and blood pressure elevation. A skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Hazard Codes:? Xn
WGK Germany: 2
The Risk Statements information:
22:? Harmful if swallowed? 
38:? Irritating to the skin? 
20/21/22:? Harmful by inhalation, in contact with skin and if swallowed? 
36/38:? Irritating to eyes and skin? 
The Risk Statements information:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice? 
36:? Wear suitable protective clothing? 
37:? Wear suitable gloves? 
37/39:? Wear suitable gloves and eye/face protection?

【Sensitive】
Light Sensitive
【Specification】

? 4'-Methoxyacetophenone , with CAS number of 100-06-1, can be called p-Methoxyphenyl methyl ketone ; para-Methoxyacetophenone ; 4-Methoxyacetophenone ; p-Methoxy(acetyl)benzene ; Vananote ; Methyl p-methoxyphenyl ketone ; 4'-Methoxyacetophenone ; 4-Methoxyphenyl methyl ketone ; 1-(4-Methoxyphenyl)ethanone .?4'-Methoxyacetophenone (CAS NO.100-06-1) used to make essence such as cosmetics and soap flavor, can also be used in organic synthesis.

【Report】

Reported in EPA TSCA Inventory.

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