Molecular formula
C9H12O

SMILES
C1CC(CC=C1)C=CC=O

Fragrance
Green	72.17%
Aldehydic	60.83%
Fatty	59.06%
Fruity	57.89%
Spicy	46.41%
Melon	42.69%
Citrus	42.17%
Fresh	40.59%
Sweet	39.47%
Cinnamon	38.08%

 

Flavor
Sweet	52.38%
Cinnamon	43.04%
Fatty	41.45%
Spice	40.78%
Spicy	39.33%
Green	37.54%
Oily	34.3%
Fat	29.87%
Cherry	27.59%
Floral	27.11%

 

Odor impact est.
High

XLogP3-AA
1.9

pKa est.
7.47 (neutral)

Molecular weight
136.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
220°C

Flash point

• 88.5 ˚C est.

3-Cyclohex-3-en-1-ylprop-2-enal is primarily used as a fragrance intermediate and odorant in perfumery, contributing green and woody notes through its cyclohexenyl aldehyde motif; it is commonly employed as a building block in the synthesis of more complex aroma compounds and is often evaluated for use in fine fragrances and scent formulations. In cosmetics and personal care, it serves as a fragrance component in skincare, haircare, and color cosmetics formulations, subject to regulatory limits. In household products, it appears as a scent additive in detergents, cleaners, and air fresheners. In industrial manufacturing, it is used as an intermediate in aroma chemistry and related synthesis. In coatings and inks, it may be incorporated via fragrance microencapsulation or controlled-release systems to provide lasting odor. (CAS number: )

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1057.44
methanol	1187.5
isopropanol	617.15
water	0.7
ethyl acetate	1841.13
n-propanol	830.29
acetone	2591.93
n-butanol	661.08
acetonitrile	1054.58
DMF	2130.1
toluene	621.41
isobutanol	554.13
1,4-dioxane	1396.79
methyl acetate	1435.85
THF	2518.7
2-butanone	1907.95
n-pentanol	366.33
sec-butanol	557.37
n-hexane	46.81
ethylene glycol	317.77
NMP	2417.93
cyclohexane	75.58
DMSO	4728.63
n-butyl acetate	1011.77
n-octanol	144.48
chloroform	1678.48
n-propyl acetate	797.13
acetic acid	1058.11
dichloromethane	2360.88
cyclohexanone	2078.68
propylene glycol	379.65
isopropyl acetate	748.84
DMAc	1166.13
2-ethoxyethanol	740.37
isopentanol	562.57
n-heptane	39.75
ethyl formate	849.58
1,2-dichloroethane	2133.83
n-hexanol	488.98
2-methoxyethanol	1611.41
isobutyl acetate	365.08
tetrachloromethane	309.09
n-pentyl acetate	374.8
transcutol	4404.08
n-heptanol	150.69
ethylbenzene	253.05
MIBK	644.96
2-propoxyethanol	925.05
tert-butanol	659.38
MTBE	620.32
2-butoxyethanol	413.47
propionic acid	1062.02
o-xylene	348.2
formic acid	476.82
diethyl ether	758.69
m-xylene	422.54
p-xylene	281.15
chlorobenzene	910.95
dimethyl carbonate	561.13
n-octane	10.63
formamide	1064.02
cyclopentanone	3374.1
2-pentanone	1600.68
anisole	656.78
cyclopentyl methyl ether	1263.05
gamma-butyrolactone	3480.59
1-methoxy-2-propanol	1079.36
pyridine	1749.38
3-pentanone	1074.16
furfural	2427.19
n-dodecane	7.62
diethylene glycol	688.14
diisopropyl ether	213.38
tert-amyl alcohol	557.25
acetylacetone	1705.21
n-hexadecane	9.12
acetophenone	608.6
methyl propionate	1507.59
isopentyl acetate	688.07
trichloroethylene	3858.94
n-nonanol	121.07
cyclohexanol	632.09
benzyl alcohol	504.87
2-ethylhexanol	272.76
isooctanol	123.2
dipropyl ether	385.86
1,2-dichlorobenzene	812.34
ethyl lactate	273.06
propylene carbonate	1398.07
n-methylformamide	1630.36
2-pentanol	407.85
n-pentane	38.57
1-propoxy-2-propanol	670.93
1-methoxy-2-propyl acetate	897.77
2-(2-methoxypropoxy) propanol	434.69
mesitylene	218.72
ε-caprolactone	1624.26
p-cymene	143.86
epichlorohydrin	3660.7
1,1,1-trichloroethane	1456.95
2-aminoethanol	611.35
morpholine-4-carbaldehyde	1739.17
sulfolane	3938.31
2,2,4-trimethylpentane	27.07
2-methyltetrahydrofuran	2170.61
n-hexyl acetate	534.13
isooctane	25.33
2-(2-butoxyethoxy)ethanol	719.93
sec-butyl acetate	445.19
tert-butyl acetate	710.97
decalin	49.2
glycerin	491.28
diglyme	1453.91
acrylic acid	932.2
isopropyl myristate	140.4
n-butyric acid	1195.92
acetyl acetate	781.65
di(2-ethylhexyl) phthalate	147.42
ethyl propionate	718.65
nitromethane	2945.85
1,2-diethoxyethane	956.6
benzonitrile	739.21
trioctyl phosphate	103.93
1-bromopropane	718.27
gamma-valerolactone	3051.42
n-decanol	89.73
triethyl phosphate	188.87
4-methyl-2-pentanol	212.02
propionitrile	814.22
vinylene carbonate	1076.82
1,1,2-trichlorotrifluoroethane	1604.71
DMS	617.62
cumene	144.82
2-octanol	92.4
2-hexanone	791.81
octyl acetate	192.56
limonene	226.01
1,2-dimethoxyethane	1041.85
ethyl orthosilicate	180.83
tributyl phosphate	163.24
diacetone alcohol	876.7
N,N-dimethylaniline	320.26
acrylonitrile	1184.92
aniline	897.39
1,3-propanediol	766.33
bromobenzene	950.55
dibromomethane	1310.46
1,1,2,2-tetrachloroethane	2445.93
2-methyl-cyclohexyl acetate	334.56
tetrabutyl urea	199.41
diisobutyl methanol	159.55
2-phenylethanol	461.74
styrene	350.26
dioctyl adipate	241.5
dimethyl sulfate	933.5
ethyl butyrate	575.42
methyl lactate	512.04
butyl lactate	314.47
diethyl carbonate	336.41
propanediol butyl ether	450.69
triethyl orthoformate	308.7
p-tert-butyltoluene	137.03
methyl 4-tert-butylbenzoate	324.08
morpholine	1902.67
tert-butylamine	347.9
n-dodecanol	64.84
dimethoxymethane	1278.18
ethylene carbonate	859.33
cyrene	393.36
2-ethoxyethyl acetate	731.92
2-ethylhexyl acetate	520.29
1,2,4-trichlorobenzene	974.63
4-methylpyridine	1531.47
dibutyl ether	246.57
2,6-dimethyl-4-heptanol	159.55
DEF	1288.87
dimethyl isosorbide	830.64
tetrachloroethylene	1604.46
eugenol	331.69
triacetin	507.81
span 80	337.59
1,4-butanediol	238.68
1,1-dichloroethane	1547.67
2-methyl-1-pentanol	346.17
methyl formate	1195.96
2-methyl-1-butanol	540.4
n-decane	13.11
butyronitrile	716.74
3,7-dimethyl-1-octanol	192.47
1-chlorooctane	110.14
1-chlorotetradecane	34.37
n-nonane	13.2
undecane	9.79
tert-butylcyclohexane	43.56
cyclooctane	29.21
cyclopentanol	832.08
tetrahydropyran	1440.02
tert-amyl methyl ether	464.56
2,5,8-trioxanonane	787.05
1-hexene	212.63
2-isopropoxyethanol	482.46
2,2,2-trifluoroethanol	379.15
methyl butyrate	898.13

Scent© AI