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Substance Name: 4-Acetylanisole
RN: 100-06-1
UNII: 0IRH2BR587
InChIKey: NTPLXRHDUXRPNE-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • 4-Acetylanisole

Synonyms

  • 1-(4-Methoxyphenyl)ethanone
  • 4'-Methoxyacetophenone
  • 4-Acetylanisole
  • 4-Methoxyacetofenon
  • 4-Methoxyacetofenon [Czech]
  • 4-Methoxyacetophenone
  • 4-Methoxyphenyl methyl ketone
  • Acetanisole
  • Acetophenone, 4'-methoxy-
  • AI3-00227
  • Anisyl, p-, methyl ketone
  • EC 202-815-9
  • EINECS 202-815-9
  • Ethanone, 1-(4-methoxyphenyl)-
  • FEMA No. 2005
  • Linarodin
  • Methyl 4-methoxyphenyl ketone
  • Methyl p-methoxyphenyl ketone
  • Novatone
  • NSC 209523
  • p-Acetylanisole
  • p-Methoxyacetophenone
  • p-Methoxyphenyl methyl ketone
  • UNII-0IRH2BR587
  • Vananote

Systematic Names

  • 4'-Methoxyacetophenone
  • Acetophenone, 4'-methoxy-
  • Ethanone, 1-(4-methoxyphenyl)-

Superlist Name

  • Acetanisole

Registry Numbers

CAS Registry Number

  • 100-06-1

FDA UNII

  • 0IRH2BR587

System Generated Number

  • 0000100061

Structure Descriptors

InChI

1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

InChIKey

NTPLXRHDUXRPNE-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 1700ug/m3/39W (1.7mg/m3) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(4), Pg. 86, 1985.
mouse LD50 oral 820mg/kg (820mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(4), Pg. 86, 1985.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 927, 1974.
rat LD50 oral 1720mg/kg (1720mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 927, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38.5 deg C   EXP
Boiling Point 258 deg C   EXP
log P (octanol-water) 1.74 (none)   EXP
Water Solubility 2470 mg/L 25 EST
Vapor Pressure 0.00644 mm Hg 25 EXP
Henry's Law Constant 5.80E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.