Results for:
PubChem ID: 7476

1-(4-methoxyphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
paramethoxyacetophenone
para-Methoxyacetophenone
p-Methoxyacetophenone
Acetanisole
p-Metoxyacetophenone
4'-Methoxyacetophenone
Castoreum anisole
Linarodin
Novatone
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Vananote
4-Methoxyacetophenone
P-ACETYLANISOLE
para-Acetanisole
4-Methoxyacetofenon
p -methoxyacetophenone
p-methoxy acetophenone
4'-Methoxyacetophenone, analytical standard
Methyl p-methoxyphenyl ketone
p-methoxy-acetophenon
p-Methoxyphenyl methyl ketone
4-Acetoanisole
4-Acetylanisole
4'-methoxy-acetophenone
4 -methoxyacetophenone
AC1L1OUJ
AC1Q4FEC
4-Acetylanisole; pAcetanisole
4-Methoxyphenyl methyl ketone
ACMC-1BOII
Methyl 4-methoxyphenyl ketone
PubChem3324
1-acetyl-4-methoxybenzene
Acetophenone, p-methoxy-
KSC174K9F
4-Methoxyacetofenon [Czech]
NSC5601
SCHEMBL41285
0IRH2BR587
4'-Methoxyacetophenone, 99%
Acetophenone, 4'-methoxy-
CTK0H4592
M0105
CHEMBL401912
NE10606
STR00157
1-(4-Methoxyphenyl)ethanone
bmse010024
HSDB 8319
UNII-0IRH2BR587
ZINC157405
AK405360
AN-1726
DTXSID2044347
Jsp000055
LS-2536
NSC-5601
NSC209523
OR025114
OR142282
OR142283
OR328325
PS-3395
SBB040242
STK498196
ZB006676
CHEBI:86567
1-(4-Methoxyphenyl)ethanone #
AB1003998
AC-10916
ANW-14150
CJ-01651
DSSTox_GSID_44347
KB-72664
SC-00003
SCHEMBL12015229
TL8002708
WLN: 1VR DO1
1-(4-methoxy-phenyl)ethanone
1-(4-methoxyphenyl) ethanone
1-(4-methoxyphenyl)-ethanone
BB_SC-6578
BDBM50376209
DSSTox_CID_24347
DSSTox_RID_80160
MFCD00008745
ZINC00157405
AI3-00227
Anisyl, p-, methyl ketone
DB-003499
KB-204522
NSC 209523
NSC-209523
RTR-033388
ST50213402
TL80073731
TR-033388
AKOS000119536
I01-6583
W-108978
Z53832960
1-[4-(methyloxy)phenyl]ethanone
BB 0258870
FEMA No. 2005
FT-0618906
FT-0650756
1-(4-Methoxy-phenyl)-ethanone
Acetanisole, >=98%, FCC, FG
Tox21_300687
1-(4-methoxyphenyl)-1-ethanone
1-(4-methoxyphenyl)ethan-1-one
100-06-1
F0001-0007
4'-Methoxyacetophenone, 99% 250g
Ethanone, 1-(4-methoxyphenyl)-
MCULE-1570220566
NCGC00188270-01
NCGC00188270-02
NCGC00254595-01
CAS-100-06-1
EINECS 202-815-9
EC 202-815-9
MolPort-000-831-720
4'-Methoxyacetophenone, purum, >=99.0% (GC)
AB-131/40174083
ETHYL, 2-(4-METHOXYPHENYL)-2-OXO-
InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H
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
Molweight150.177
LogP1.37
Atoms21
Bonds21
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers Ketones

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a