Molecular formula
C14H20O

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

Fragrance
Herbal	75.38%
Spicy	58.91%
Woody	57.0%
Green	38.99%
Mint	34.95%
Phenolic	33.78%
Earthy	33.25%
Camphoreous	33.11%
Fresh	31.48%
Dry	30.97%

 

Flavor
Woody	63.99%
Herbal	51.91%
Spicy	38.51%
Spice	31.49%
Camphor	29.43%
Wood	26.12%
Herb	23.99%
Musty	22.13%
Floral	21.67%
Medicinal	21.67%

 

Odor impact est.
Medium

XLogP3-AA
3.9

pKa est.
8.57 (weak base)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
256°C

Flash point

• 111.63 ˚C est.

• SCHEMBL8146335

1-[3,5-Di(propan-2-yl)phenyl]ethanone is commonly used in fragrance chemistry as an intermediate and odorant, and may serve as a fixative or aroma carrier in perfumery; in cosmetics and personal care, it can be employed as a fragrance ingredient or solvent for formulation actives; in household products, it is used as a fragrance component in cleaners and deodorizers; in coatings and inks, it functions as a solvent or formulation intermediate for resin systems; in industrial manufacturing, it is often used as an organic synthesis intermediate and building block for more complex aromatics; and in polymers/plastics, it may act as a processing aid or precursor for specialty monomers in niche formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	306.35
methanol	149.92
isopropanol	347.7
water	0.38
ethyl acetate	526.47
n-propanol	355.68
acetone	884.85
n-butanol	341.64
acetonitrile	448.92
DMF	1238.18
toluene	535.79
isobutanol	310.96
1,4-dioxane	976.37
methyl acetate	684.64
THF	1587.57
2-butanone	898.76
n-pentanol	240.2
sec-butanol	374.18
n-hexane	91.92
ethylene glycol	45.62
NMP	1063.11
cyclohexane	171.13
DMSO	478.68
n-butyl acetate	580.79
n-octanol	192.01
chloroform	2144.47
n-propyl acetate	404.56
acetic acid	235.77
dichloromethane	1946.7
cyclohexanone	1263.92
propylene glycol	129.53
isopropyl acetate	319.09
DMAc	897.92
2-ethoxyethanol	226.17
isopentanol	283.28
n-heptane	76.29
ethyl formate	427.7
1,2-dichloroethane	1021.0
n-hexanol	350.5
2-methoxyethanol	351.35
isobutyl acetate	276.26
tetrachloromethane	300.18
n-pentyl acetate	316.08
transcutol	410.17
n-heptanol	187.99
ethylbenzene	326.52
MIBK	294.55
2-propoxyethanol	375.89
tert-butanol	409.76
MTBE	425.21
2-butoxyethanol	246.14
propionic acid	325.08
o-xylene	323.76
formic acid	36.55
diethyl ether	363.38
m-xylene	317.99
p-xylene	436.15
chlorobenzene	659.69
dimethyl carbonate	209.97
n-octane	43.5
formamide	104.99
cyclopentanone	1534.18
2-pentanone	569.88
anisole	461.35
cyclopentyl methyl ether	521.54
gamma-butyrolactone	1307.4
1-methoxy-2-propanol	352.53
pyridine	1086.21
3-pentanone	472.32
furfural	945.41
n-dodecane	37.54
diethylene glycol	185.14
diisopropyl ether	123.72
tert-amyl alcohol	366.54
acetylacetone	587.92
n-hexadecane	43.3
acetophenone	458.98
methyl propionate	476.58
isopentyl acetate	465.74
trichloroethylene	2071.85
n-nonanol	175.64
cyclohexanol	410.32
benzyl alcohol	360.08
2-ethylhexanol	258.9
isooctanol	154.38
dipropyl ether	290.58
1,2-dichlorobenzene	537.4
ethyl lactate	173.44
propylene carbonate	772.66
n-methylformamide	382.19
2-pentanol	246.69
n-pentane	73.65
1-propoxy-2-propanol	335.38
1-methoxy-2-propyl acetate	390.06
2-(2-methoxypropoxy) propanol	238.49
mesitylene	179.87
ε-caprolactone	892.36
p-cymene	210.09
epichlorohydrin	1226.79
1,1,1-trichloroethane	1091.42
2-aminoethanol	119.29
morpholine-4-carbaldehyde	800.13
sulfolane	1074.88
2,2,4-trimethylpentane	45.16
2-methyltetrahydrofuran	997.78
n-hexyl acetate	424.15
isooctane	29.89
2-(2-butoxyethoxy)ethanol	258.59
sec-butyl acetate	272.8
tert-butyl acetate	302.59
decalin	91.07
glycerin	112.41
diglyme	476.6
acrylic acid	255.96
isopropyl myristate	177.45
n-butyric acid	443.48
acetyl acetate	331.51
di(2-ethylhexyl) phthalate	178.28
ethyl propionate	339.0
nitromethane	561.34
1,2-diethoxyethane	335.6
benzonitrile	545.2
trioctyl phosphate	133.6
1-bromopropane	690.58
gamma-valerolactone	1351.72
n-decanol	140.13
triethyl phosphate	177.43
4-methyl-2-pentanol	137.7
propionitrile	461.95
vinylene carbonate	647.04
1,1,2-trichlorotrifluoroethane	560.56
DMS	340.23
cumene	206.47
2-octanol	159.8
2-hexanone	451.51
octyl acetate	234.38
limonene	272.99
1,2-dimethoxyethane	569.08
ethyl orthosilicate	157.47
tributyl phosphate	146.17
diacetone alcohol	331.46
N,N-dimethylaniline	310.01
acrylonitrile	540.51
aniline	459.12
1,3-propanediol	194.82
bromobenzene	749.71
dibromomethane	1344.84
1,1,2,2-tetrachloroethane	1522.46
2-methyl-cyclohexyl acetate	332.64
tetrabutyl urea	205.4
diisobutyl methanol	139.8
2-phenylethanol	380.19
styrene	388.67
dioctyl adipate	270.03
dimethyl sulfate	315.12
ethyl butyrate	402.37
methyl lactate	197.0
butyl lactate	223.31
diethyl carbonate	279.26
propanediol butyl ether	219.74
triethyl orthoformate	239.28
p-tert-butyltoluene	202.06
methyl 4-tert-butylbenzoate	331.19
morpholine	995.26
tert-butylamine	264.87
n-dodecanol	114.53
dimethoxymethane	459.66
ethylene carbonate	538.48
cyrene	336.23
2-ethoxyethyl acetate	362.29
2-ethylhexyl acetate	399.52
1,2,4-trichlorobenzene	627.15
4-methylpyridine	1105.89
dibutyl ether	248.86
2,6-dimethyl-4-heptanol	139.8
DEF	568.65
dimethyl isosorbide	494.12
tetrachloroethylene	792.39
eugenol	288.38
triacetin	332.39
span 80	271.87
1,4-butanediol	96.78
1,1-dichloroethane	1198.2
2-methyl-1-pentanol	252.15
methyl formate	346.66
2-methyl-1-butanol	298.98
n-decane	55.9
butyronitrile	502.25
3,7-dimethyl-1-octanol	182.54
1-chlorooctane	189.35
1-chlorotetradecane	88.73
n-nonane	55.14
undecane	44.4
tert-butylcyclohexane	80.98
cyclooctane	56.73
cyclopentanol	482.23
tetrahydropyran	1016.26
tert-amyl methyl ether	315.88
2,5,8-trioxanonane	341.34
1-hexene	280.67
2-isopropoxyethanol	208.86
2,2,2-trifluoroethanol	101.94
methyl butyrate	513.62

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