Molecular formula
C12H20O

SMILES
CC(C)C1CCC(=CC1)CCC=O

Fragrance
Green	77.43%
Floral	75.09%
Aldehydic	70.8%
Fresh	56.47%
Muguet	51.53%
Lily	48.37%
Citrus	46.87%
Ozone	46.32%
Waxy	37.4%
Melon	34.36%

 

Flavor
Herbal	57.15%
Green	54.98%
Fatty	44.84%
Fresh	44.38%
Spicy	39.46%
Oily	35.66%
Spice	33.3%
Waxy	29.24%
Fat	29.05%
Woody	27.37%

 

Odor impact est.
High

XLogP3-AA
2.8

pKa est.
8.62 (weak base)

Molecular weight
180.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 106.85 ˚C est.

• SCHEMBL14848325
• NS00001987

3-(4-Propan-2-ylcyclohexen-1-yl)propanal is commonly used as an aroma-building block in perfumery, contributing a fresh green note; it may also function as a fragrance ingredient in cosmetics and personal care products, and as a scent component in household products such as cleaners and air fresheners. In the flavor/aroma sector, it can be evaluated for aroma applications where permitted. As an intermediate in industrial manufacturing, it serves as a precursor for the synthesis of specialty fragrance derivatives. In coatings and inks, it may be used as a fragrance additive to impart a pleasant odor profile during product use.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1991.23
methanol	1202.04
isopropanol	1751.39
water	0.15
ethyl acetate	2768.46
n-propanol	1585.84
acetone	2205.43
n-butanol	1489.22
acetonitrile	1597.37
DMF	1025.21
toluene	1044.87
isobutanol	932.26
1,4-dioxane	3341.45
methyl acetate	1474.6
THF	2974.75
2-butanone	1924.06
n-pentanol	660.61
sec-butanol	944.71
n-hexane	123.28
ethylene glycol	102.28
NMP	496.23
cyclohexane	284.37
DMSO	1005.28
n-butyl acetate	1387.36
n-octanol	163.76
chloroform	3128.19
n-propyl acetate	901.4
acetic acid	560.34
dichloromethane	2884.29
cyclohexanone	1714.15
propylene glycol	214.85
isopropyl acetate	1351.76
DMAc	614.65
2-ethoxyethanol	827.58
isopentanol	1107.15
n-heptane	68.44
ethyl formate	752.01
1,2-dichloroethane	2178.06
n-hexanol	892.67
2-methoxyethanol	1689.69
isobutyl acetate	491.2
tetrachloromethane	413.5
n-pentyl acetate	424.33
transcutol	4210.91
n-heptanol	203.66
ethylbenzene	293.3
MIBK	805.12
2-propoxyethanol	1377.04
tert-butanol	1640.85
MTBE	1925.54
2-butoxyethanol	474.24
propionic acid	568.38
o-xylene	357.43
formic acid	112.06
diethyl ether	3184.23
m-xylene	530.16
p-xylene	318.27
chlorobenzene	832.16
dimethyl carbonate	259.99
n-octane	20.24
formamide	244.86
cyclopentanone	1536.28
2-pentanone	1791.43
anisole	601.34
cyclopentyl methyl ether	1399.17
gamma-butyrolactone	1336.56
1-methoxy-2-propanol	1283.84
pyridine	1940.83
3-pentanone	1064.98
furfural	974.89
n-dodecane	12.69
diethylene glycol	588.13
diisopropyl ether	574.5
tert-amyl alcohol	816.54
acetylacetone	1260.92
n-hexadecane	15.42
acetophenone	410.74
methyl propionate	1167.58
isopentyl acetate	1056.05
trichloroethylene	3032.25
n-nonanol	148.22
cyclohexanol	916.36
benzyl alcohol	409.74
2-ethylhexanol	406.92
isooctanol	168.84
dipropyl ether	862.48
1,2-dichlorobenzene	594.28
ethyl lactate	208.74
propylene carbonate	679.84
n-methylformamide	568.89
2-pentanol	926.13
n-pentane	154.63
1-propoxy-2-propanol	1003.53
1-methoxy-2-propyl acetate	1217.81
2-(2-methoxypropoxy) propanol	444.05
mesitylene	270.56
ε-caprolactone	1272.76
p-cymene	162.92
epichlorohydrin	2272.23
1,1,1-trichloroethane	1724.33
2-aminoethanol	359.1
morpholine-4-carbaldehyde	1032.3
sulfolane	896.96
2,2,4-trimethylpentane	47.23
2-methyltetrahydrofuran	2408.35
n-hexyl acetate	520.12
isooctane	52.11
2-(2-butoxyethoxy)ethanol	721.8
sec-butyl acetate	601.04
tert-butyl acetate	1090.25
decalin	76.81
glycerin	228.2
diglyme	1497.23
acrylic acid	322.8
isopropyl myristate	185.76
n-butyric acid	1359.9
acetyl acetate	837.04
di(2-ethylhexyl) phthalate	149.64
ethyl propionate	723.94
nitromethane	1026.18
1,2-diethoxyethane	1888.47
benzonitrile	631.21
trioctyl phosphate	97.9
1-bromopropane	1638.69
gamma-valerolactone	1860.23
n-decanol	106.17
triethyl phosphate	198.05
4-methyl-2-pentanol	403.08
propionitrile	1280.35
vinylene carbonate	577.62
1,1,2-trichlorotrifluoroethane	812.28
DMS	428.85
cumene	162.7
2-octanol	119.1
2-hexanone	815.27
octyl acetate	201.88
limonene	268.05
1,2-dimethoxyethane	1522.99
ethyl orthosilicate	226.51
tributyl phosphate	151.02
diacetone alcohol	796.5
N,N-dimethylaniline	281.7
acrylonitrile	1045.07
aniline	892.72
1,3-propanediol	728.87
bromobenzene	929.31
dibromomethane	2064.56
1,1,2,2-tetrachloroethane	2087.13
2-methyl-cyclohexyl acetate	365.31
tetrabutyl urea	158.3
diisobutyl methanol	248.73
2-phenylethanol	486.66
styrene	415.4
dioctyl adipate	254.48
dimethyl sulfate	259.43
ethyl butyrate	785.35
methyl lactate	260.34
butyl lactate	272.27
diethyl carbonate	428.89
propanediol butyl ether	338.45
triethyl orthoformate	448.72
p-tert-butyltoluene	168.11
methyl 4-tert-butylbenzoate	301.1
morpholine	3796.64
tert-butylamine	1120.62
n-dodecanol	79.83
dimethoxymethane	1264.18
ethylene carbonate	564.93
cyrene	253.84
2-ethoxyethyl acetate	796.36
2-ethylhexyl acetate	709.55
1,2,4-trichlorobenzene	662.49
4-methylpyridine	1698.13
dibutyl ether	473.31
2,6-dimethyl-4-heptanol	248.73
DEF	1214.32
dimethyl isosorbide	695.58
tetrachloroethylene	1275.59
eugenol	272.48
triacetin	444.27
span 80	325.09
1,4-butanediol	175.43
1,1-dichloroethane	2302.65
2-methyl-1-pentanol	458.29
methyl formate	328.78
2-methyl-1-butanol	808.95
n-decane	26.21
butyronitrile	1535.38
3,7-dimethyl-1-octanol	224.87
1-chlorooctane	142.94
1-chlorotetradecane	48.86
n-nonane	25.47
undecane	17.21
tert-butylcyclohexane	66.92
cyclooctane	73.56
cyclopentanol	694.69
tetrahydropyran	3699.24
tert-amyl methyl ether	835.46
2,5,8-trioxanonane	798.97
1-hexene	551.68
2-isopropoxyethanol	561.41
2,2,2-trifluoroethanol	131.49
methyl butyrate	922.05

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