Molecular formula
C12H16O2

SMILES
CCC(C1=CC=C(C=C1)OC)C(=O)C

Fragrance
Fruity	71.61%
Sweet	65.72%
Floral	62.06%
Woody	50.07%
Herbal	47.89%
Spicy	45.33%
Balsamic	37.87%
Berry	37.67%
Green	34.61%
Dry	31.84%

 

Flavor
Sweet	64.69%
Fruity	51.54%
Floral	51.19%
Herbal	37.45%
Rose	32.08%
Spicy	30.81%
Balsam	30.54%
Green	29.36%
Woody	28.03%
Berry	27.45%

 

Odor impact est.
Medium

XLogP3-AA
2.4

pKa est.
8.23 (weak base)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
279°C

Flash point

• 117.32 ˚C est.

• AKOS015784712

3-(4-Methoxyphenyl)pentan-2-one is commonly used as a fragrance intermediate and odorant precursor in perfumery, contributing to specific aroma profiles when elaborated into fragrance formulas. It may also act as a fragrance component in cosmetics and personal care products, providing distinct scent characteristics in shampoos, body care, and related formulations. In industrial manufacturing, the compound serves as an intermediate for synthesizing related anisyl aryl ketones and other specialty chemicals used in aroma portfolios. As a building block in fragrance chemistry, it is often evaluated for use in research and development programs aimed at expanding the library of aroma compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	327.79
methanol	436.15
isopropanol	219.01
water	1.48
ethyl acetate	506.64
n-propanol	298.03
acetone	815.36
n-butanol	283.24
acetonitrile	635.9
DMF	1113.32
toluene	275.3
isobutanol	200.13
1,4-dioxane	1122.47
methyl acetate	502.75
THF	965.72
2-butanone	568.71
n-pentanol	210.05
sec-butanol	197.03
n-hexane	62.39
ethylene glycol	165.53
NMP	879.94
cyclohexane	74.32
DMSO	1543.62
n-butyl acetate	361.65
n-octanol	72.54
chloroform	2168.45
n-propyl acetate	258.14
acetic acid	520.34
dichloromethane	2217.74
cyclohexanone	762.32
propylene glycol	151.19
isopropyl acetate	266.72
DMAc	876.66
2-ethoxyethanol	482.99
isopentanol	278.11
n-heptane	16.7
ethyl formate	279.81
1,2-dichloroethane	1654.71
n-hexanol	207.41
2-methoxyethanol	754.27
isobutyl acetate	158.66
tetrachloromethane	327.52
n-pentyl acetate	164.63
transcutol	1891.24
n-heptanol	77.2
ethylbenzene	155.21
MIBK	266.25
2-propoxyethanol	462.64
tert-butanol	440.62
MTBE	507.77
2-butoxyethanol	194.88
propionic acid	356.89
o-xylene	180.78
formic acid	291.5
diethyl ether	581.69
m-xylene	180.8
p-xylene	159.06
chlorobenzene	591.64
dimethyl carbonate	270.2
n-octane	6.67
formamide	503.46
cyclopentanone	819.29
2-pentanone	430.75
anisole	417.56
cyclopentyl methyl ether	475.51
gamma-butyrolactone	937.32
1-methoxy-2-propanol	481.15
pyridine	656.77
3-pentanone	414.55
furfural	834.13
n-dodecane	5.55
diethylene glycol	452.45
diisopropyl ether	137.53
tert-amyl alcohol	323.58
acetylacetone	543.2
n-hexadecane	6.67
acetophenone	315.94
methyl propionate	439.26
isopentyl acetate	316.34
trichloroethylene	2485.75
n-nonanol	66.54
cyclohexanol	285.07
benzyl alcohol	255.93
2-ethylhexanol	128.16
isooctanol	68.39
dipropyl ether	169.75
1,2-dichlorobenzene	543.74
ethyl lactate	138.67
propylene carbonate	435.16
n-methylformamide	516.67
2-pentanol	174.45
n-pentane	39.06
1-propoxy-2-propanol	276.37
1-methoxy-2-propyl acetate	383.33
2-(2-methoxypropoxy) propanol	289.25
mesitylene	114.59
ε-caprolactone	581.77
p-cymene	79.91
epichlorohydrin	1439.12
1,1,1-trichloroethane	1157.94
2-aminoethanol	251.65
morpholine-4-carbaldehyde	957.5
sulfolane	1248.38
2,2,4-trimethylpentane	27.51
2-methyltetrahydrofuran	726.89
n-hexyl acetate	249.5
isooctane	20.42
2-(2-butoxyethoxy)ethanol	406.85
sec-butyl acetate	187.39
tert-butyl acetate	385.72
decalin	46.72
glycerin	284.13
diglyme	815.87
acrylic acid	373.04
isopropyl myristate	88.67
n-butyric acid	399.1
acetyl acetate	316.34
di(2-ethylhexyl) phthalate	105.88
ethyl propionate	264.93
nitromethane	1211.12
1,2-diethoxyethane	510.0
benzonitrile	333.52
trioctyl phosphate	67.35
1-bromopropane	645.78
gamma-valerolactone	1048.93
n-decanol	49.38
triethyl phosphate	138.72
4-methyl-2-pentanol	117.13
propionitrile	419.84
vinylene carbonate	449.33
1,1,2-trichlorotrifluoroethane	911.16
DMS	338.0
cumene	100.98
2-octanol	53.65
2-hexanone	305.08
octyl acetate	113.7
limonene	119.14
1,2-dimethoxyethane	828.59
ethyl orthosilicate	135.71
tributyl phosphate	109.02
diacetone alcohol	394.55
N,N-dimethylaniline	235.29
acrylonitrile	578.71
aniline	438.0
1,3-propanediol	331.67
bromobenzene	653.21
dibromomethane	1333.95
1,1,2,2-tetrachloroethane	1898.29
2-methyl-cyclohexyl acetate	195.37
tetrabutyl urea	131.36
diisobutyl methanol	78.08
2-phenylethanol	235.77
styrene	220.3
dioctyl adipate	150.63
dimethyl sulfate	505.66
ethyl butyrate	217.1
methyl lactate	227.93
butyl lactate	145.6
diethyl carbonate	174.55
propanediol butyl ether	205.33
triethyl orthoformate	167.58
p-tert-butyltoluene	81.21
methyl 4-tert-butylbenzoate	226.7
morpholine	1159.18
tert-butylamine	272.95
n-dodecanol	38.91
dimethoxymethane	668.07
ethylene carbonate	384.95
cyrene	277.38
2-ethoxyethyl acetate	341.4
2-ethylhexyl acetate	254.76
1,2,4-trichlorobenzene	614.92
4-methylpyridine	657.93
dibutyl ether	143.74
2,6-dimethyl-4-heptanol	78.08
DEF	557.96
dimethyl isosorbide	473.4
tetrachloroethylene	1125.91
eugenol	234.68
triacetin	270.93
span 80	194.18
1,4-butanediol	143.68
1,1-dichloroethane	1161.06
2-methyl-1-pentanol	207.99
methyl formate	397.16
2-methyl-1-butanol	246.32
n-decane	9.84
butyronitrile	352.75
3,7-dimethyl-1-octanol	95.71
1-chlorooctane	67.19
1-chlorotetradecane	26.0
n-nonane	9.27
undecane	7.12
tert-butylcyclohexane	42.24
cyclooctane	23.28
cyclopentanol	256.6
tetrahydropyran	797.93
tert-amyl methyl ether	346.47
2,5,8-trioxanonane	537.43
1-hexene	187.79
2-isopropoxyethanol	295.78
2,2,2-trifluoroethanol	285.8
methyl butyrate	319.73

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