Results for:
PubChem ID: 7476

1-(4-methoxyphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
4'-Methoxyacetophenone
100-06-1
4-Methoxyacetophenone
4-Acetylanisole
1-(4-Methoxyphenyl)ethanone
Acetanisole
p-Methoxyacetophenone
Novatone
Linarodin
Ethanone, 1-(4-methoxyphenyl)-
Vananote
1-(4-methoxyphenyl)ethan-1-one
P-ACETYLANISOLE
4-Methoxyphenyl methyl ketone
Acetophenone, 4'-methoxy-
p-Methoxyphenyl methyl ketone
p-methoxy acetophenone
Methyl p-methoxyphenyl ketone
4-Methoxyacetofenon
Methyl 4-methoxyphenyl ketone
FEMA No. 2005
p-Metoxyacetophenone
NSC 209523
4-methoxy acetophenone
4-Methoxy-acetophenone
para-Methoxyacetophenone
4'-methoxy-acetophenone
MFCD00008745
1-(4-methoxyphenyl)-ethanone
0IRH2BR587
CHEMBL401912
DTXSID2044347
CHEBI:86567
1-(4-methoxyphenyl)ethanone-OCD3
NSC-5601
NSC-209523
WLN: 1VR DO1
4-METHOXYACETOPHENONE (D3)
Anisyl, p-, methyl ketone
4-Methoxyacetofenon [Czech]
1804943-43-8
EINECS 202-815-9
acetylanisole
UNII-0IRH2BR587
AI3-00227
4-Acetoanisole
4-Methoxyphenylacetone; Mebeverine Hydrochloride Imp. A (Pharmeuropa)
p-methoxyactophenone
paramethoxyacetophenone
p -methoxyacetophenone
p-methoxy-acetophenone
Acetophenone, p-methoxy-
ACETANISOLE [FCC]
ACETANISOLE [FHFI]
bmse010024
EC 202-815-9
SCHEMBL41285
1-(4-methoxy-phenyl)ethanone
1-(4-methoxyphenyl) ethanone
4'-Methoxyacetophenone, 99%
1-(4-Methoxy-phenyl)-ethanone
1-(4-Methoxyphenyl)ethanone #
DTXCID0024347
SCHEMBL12015229
FEMA 2005
HSDB 8319
1-[4-(methyloxy)phenyl]ethanone
NSC5601
Acetanisole, >=98%, FCC, FG
AMY21966
STR00157
Tox21_300687
BDBM50376209
NSC209523
STK498196
AKOS000119536
MCULE-1570220566
PS-3395
NCGC00188270-01
NCGC00188270-02
NCGC00254595-01
AC-10916
CAS-100-06-1
4'-Methoxyacetophenone, analytical standard
DB-003499
CS-0008322
M0105
NS00006071
EN300-16104
D71251
4'-Methoxyacetophenone, purum, >=99.0% (GC)
AB-131/40174083
Q229995
W-108978
Z53832960
F0001-0007
InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H
4-Acetylanisole 4'-Methoxyacetophenone 1-(4-Methoxyphenyl)ethanone Acetanisole Novatone 4-Acetylanisole Linarodin Vananote Acetophenone, 4'-methoxy- Ethanone, 1
O9F
Microorganism:

Yes

IUPAC name1-(4-methoxyphenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)OC
InchiInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
FormulaC9H10O2
PubChem ID7476
Molweight150.17
LogP1.7
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids esters ethers aromatic compounds
CHEBI-ID86567
Supernatural-IDSN0254938

mVOC Specific Details

Boiling Point
DegreeReference
254 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Volatilization
The Henry's Law constant for 4-acetylanisole is estimated as 8.9X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylanisole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 42 days(SRC). 4-Acetylanisole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Acetylanisole is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.44X10-3 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Jones AH; J Chem Eng Data 5: 196-200 (1960)
Solubility
In water, 3.62X10+3 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 7, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Soluble in ethanol, diethyl ether, acetone and chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Literature: #Soluble in alcohol, ether, fixed oils
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 888
Literature: #Soluble in fixed oils, propylene glycol; miscible with glycerin
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2881
Soil Adsorption
A log Koc of 2.43 for 4-acetylanisole was measured in a black agricultural soil (silty loam, pH 5.86, 27.2% clay content, 4.78% soil organic matter, 4.01% water content) obtained from Northeastern China(1). This corresponds to a Koc of 270(SRC). According to a classification scheme(2), this Koc value suggests that 4-acetylanisole is expected to have moderate mobility in soil.
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.44X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChondromyces Crocatusn/an/ano