Molecular formula
C12H16O

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

Fragrance
Fruity	58.41%
Herbal	56.99%
Woody	46.26%
Balsamic	37.6%
Mint	37.01%
Floral	35.64%
Dry	29.55%
Sweet	28.91%
Green	28.77%
Camphoreous	27.77%

 

Flavor
Green	37.0%
Herbal	36.42%
Fruity	30.67%
Bitter	27.12%
Herb	23.1%
Musty	20.31%
Heather	19.91%
Genet	19.84%
Butyric	19.62%
Broom	19.61%

 

Odor impact est.
High

XLogP3-AA
3.5

pKa est.
7.86 (neutral)

Molecular weight
176.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
252°C

Flash point

• 96.83 ˚C est.

• isopropylpropiophenone
• SCHEMBL12251084
• AKOS013349070

Isopropylpropiophenone is primarily used as an intermediate in organic synthesis across several industries. In perfumery and flavor chemistry it often serves as a fragrance ingredient or odorant precursor; in cosmetics and personal care it can function as a processing aid or reactive intermediate. It may be employed as a solvent or co-solvent in coatings, inks, and cleaning formulations, and in polymer and plastics manufacturing it acts as a building block for specialty monomers or intermediates. It is also encountered as a synthetic intermediate in pharmaceutical development, with use governed by local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2617.79
methanol	1761.08
isopropanol	2979.05
water	9.36
ethyl acetate	2428.19
n-propanol	2585.79
acetone	4151.15
n-butanol	2394.52
acetonitrile	5678.3
DMF	4164.07
toluene	1125.37
isobutanol	2337.32
1,4-dioxane	3579.9
methyl acetate	2778.94
THF	2794.44
2-butanone	3491.57
n-pentanol	1337.22
sec-butanol	2419.1
n-hexane	482.13
ethylene glycol	263.63
NMP	2238.76
cyclohexane	731.69
DMSO	1330.63
n-butyl acetate	2159.53
n-octanol	967.91
chloroform	8666.22
n-propyl acetate	1585.03
acetic acid	1717.49
dichloromethane	6710.04
cyclohexanone	4486.71
propylene glycol	433.51
isopropyl acetate	1228.08
DMAc	2119.02
2-ethoxyethanol	1032.76
isopentanol	1838.12
n-heptane	254.13
ethyl formate	2168.1
1,2-dichloroethane	4373.48
n-hexanol	1656.43
2-methoxyethanol	1753.79
isobutyl acetate	866.23
tetrachloromethane	1180.58
n-pentyl acetate	1055.56
transcutol	2559.23
n-heptanol	884.37
ethylbenzene	858.58
MIBK	1146.8
2-propoxyethanol	1430.74
tert-butanol	2363.97
MTBE	2056.41
2-butoxyethanol	1020.02
propionic acid	1739.19
o-xylene	727.87
formic acid	391.55
diethyl ether	2372.46
m-xylene	715.0
p-xylene	1136.87
chlorobenzene	2186.16
dimethyl carbonate	662.21
n-octane	153.49
formamide	944.4
cyclopentanone	3722.55
2-pentanone	2335.24
anisole	1339.8
cyclopentyl methyl ether	1461.32
gamma-butyrolactone	3503.52
1-methoxy-2-propanol	1297.9
pyridine	3769.71
3-pentanone	1850.8
furfural	2595.4
n-dodecane	102.03
diethylene glycol	688.02
diisopropyl ether	583.02
tert-amyl alcohol	1796.84
acetylacetone	1652.44
n-hexadecane	120.17
acetophenone	1141.66
methyl propionate	1674.96
isopentyl acetate	1577.52
trichloroethylene	7962.82
n-nonanol	760.24
cyclohexanol	2015.54
benzyl alcohol	955.13
2-ethylhexanol	947.84
isooctanol	699.06
dipropyl ether	1018.6
1,2-dichlorobenzene	1612.96
ethyl lactate	535.57
propylene carbonate	2120.98
n-methylformamide	2231.28
2-pentanol	1621.18
n-pentane	371.67
1-propoxy-2-propanol	1190.97
1-methoxy-2-propyl acetate	972.47
2-(2-methoxypropoxy) propanol	611.34
mesitylene	492.61
ε-caprolactone	2887.9
p-cymene	412.38
epichlorohydrin	3754.09
1,1,1-trichloroethane	4224.13
2-aminoethanol	714.04
morpholine-4-carbaldehyde	1954.03
sulfolane	2399.23
2,2,4-trimethylpentane	155.19
2-methyltetrahydrofuran	2657.85
n-hexyl acetate	1547.13
isooctane	133.79
2-(2-butoxyethoxy)ethanol	936.05
sec-butyl acetate	870.98
tert-butyl acetate	1027.67
decalin	261.75
glycerin	404.65
diglyme	1776.59
acrylic acid	1336.29
isopropyl myristate	503.83
n-butyric acid	2520.28
acetyl acetate	1054.46
di(2-ethylhexyl) phthalate	328.52
ethyl propionate	1195.16
nitromethane	3479.93
1,2-diethoxyethane	1394.23
benzonitrile	1990.35
trioctyl phosphate	301.55
1-bromopropane	2707.03
gamma-valerolactone	3508.63
n-decanol	522.91
triethyl phosphate	403.81
4-methyl-2-pentanol	723.02
propionitrile	3728.98
vinylene carbonate	2069.4
1,1,2-trichlorotrifluoroethane	1737.19
DMS	813.48
cumene	542.44
2-octanol	719.83
2-hexanone	1749.89
octyl acetate	669.45
limonene	596.67
1,2-dimethoxyethane	2183.96
ethyl orthosilicate	389.63
tributyl phosphate	369.04
diacetone alcohol	1020.11
N,N-dimethylaniline	745.17
acrylonitrile	3808.76
aniline	1387.78
1,3-propanediol	1241.16
bromobenzene	2189.98
dibromomethane	4657.25
1,1,2,2-tetrachloroethane	5887.29
2-methyl-cyclohexyl acetate	713.62
tetrabutyl urea	485.07
diisobutyl methanol	473.75
2-phenylethanol	889.51
styrene	1097.61
dioctyl adipate	607.57
dimethyl sulfate	770.94
ethyl butyrate	1214.17
methyl lactate	564.64
butyl lactate	694.53
diethyl carbonate	783.77
propanediol butyl ether	880.88
triethyl orthoformate	680.14
p-tert-butyltoluene	383.0
methyl 4-tert-butylbenzoate	751.88
morpholine	3636.96
tert-butylamine	1702.97
n-dodecanol	384.73
dimethoxymethane	1453.44
ethylene carbonate	1820.15
cyrene	581.04
2-ethoxyethyl acetate	1023.3
2-ethylhexyl acetate	1154.23
1,2,4-trichlorobenzene	1684.65
4-methylpyridine	3464.51
dibutyl ether	1045.12
2,6-dimethyl-4-heptanol	473.75
DEF	2286.47
dimethyl isosorbide	1014.41
tetrachloroethylene	3443.17
eugenol	704.47
triacetin	822.24
span 80	625.26
1,4-butanediol	483.22
1,1-dichloroethane	5707.92
2-methyl-1-pentanol	1170.74
methyl formate	1664.75
2-methyl-1-butanol	1863.16
n-decane	199.94
butyronitrile	3769.25
3,7-dimethyl-1-octanol	718.87
1-chlorooctane	762.4
1-chlorotetradecane	257.71
n-nonane	221.33
undecane	138.31
tert-butylcyclohexane	238.22
cyclooctane	183.04
cyclopentanol	1996.9
tetrahydropyran	3869.14
tert-amyl methyl ether	1148.19
2,5,8-trioxanonane	970.05
1-hexene	1430.82
2-isopropoxyethanol	742.09
2,2,2-trifluoroethanol	672.36
methyl butyrate	2023.71

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