Molecular formula
C11H16O

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

Fragrance
Green	83.02%
Aldehydic	59.55%
Fruity	44.48%
Fresh	43.59%
Herbal	43.29%
Citrus	40.77%
Spicy	37.99%
Leafy	37.15%
Floral	31.98%
Fatty	30.75%

 

Flavor
Spice	41.75%
Herbal	36.37%
Spicy	30.45%
Fatty	29.19%
Fresh	29.06%
Mint	27.24%
Green	26.64%
Oily	26.12%
Cumin	24.33%
Terpentine	22.29%

 

Odor impact est.
High

XLogP3-AA
2.4

pKa est.
6.79 (neutral)

Molecular weight
164.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
216°C

Flash point

• 94.99 ˚C est.

• SCHEMBL10627808

5-But-3-en-2-ylcyclohex-3-ene-1-carbaldehyde is primarily used as a fragrance-related building block and odorant precursor, contributing to scent profiles in perfumery and cosmetics where its allyl aldehyde functionality enables downstream derivatization. It may be evaluated as a fragrance intermediate or potential fixative in personal care and household fragrance formulations. In industrial manufacturing, it can serve as a chemical intermediate for synthesizing more complex aroma compounds or specialty polymers, leveraging its unsaturation for functionalization. The allyl and aldehyde groups also support use in polymer and resin systems, including coatings and inks, as a reactive modifier or crosslinking component. Additionally, it could be considered as a precursor in flavor research or aroma studies, subject to formulation preferences and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1522.97
methanol	1067.58
isopropanol	1496.95
water	0.37
ethyl acetate	2288.15
n-propanol	1357.23
acetone	2830.43
n-butanol	1191.23
acetonitrile	1573.61
DMF	1827.12
toluene	820.7
isobutanol	1017.53
1,4-dioxane	1818.87
methyl acetate	1742.1
THF	2915.11
2-butanone	2579.02
n-pentanol	601.86
sec-butanol	1097.4
n-hexane	77.98
ethylene glycol	151.94
NMP	1482.89
cyclohexane	129.94
DMSO	2891.72
n-butyl acetate	1376.0
n-octanol	217.63
chloroform	2864.67
n-propyl acetate	1027.25
acetic acid	821.85
dichloromethane	3609.24
cyclohexanone	2293.35
propylene glycol	297.94
isopropyl acetate	1073.73
DMAc	967.19
2-ethoxyethanol	746.54
isopentanol	1016.98
n-heptane	45.8
ethyl formate	1060.81
1,2-dichloroethane	2446.48
n-hexanol	793.79
2-methoxyethanol	1439.94
isobutyl acetate	502.45
tetrachloromethane	469.32
n-pentyl acetate	478.31
transcutol	4079.63
n-heptanol	232.6
ethylbenzene	338.29
MIBK	883.94
2-propoxyethanol	1105.46
tert-butanol	1379.41
MTBE	1307.84
2-butoxyethanol	472.87
propionic acid	992.64
o-xylene	417.07
formic acid	232.8
diethyl ether	1471.6
m-xylene	515.75
p-xylene	372.56
chlorobenzene	1151.08
dimethyl carbonate	450.78
n-octane	16.56
formamide	537.5
cyclopentanone	2877.16
2-pentanone	1948.47
anisole	716.66
cyclopentyl methyl ether	1411.57
gamma-butyrolactone	2878.21
1-methoxy-2-propanol	1223.22
pyridine	1852.56
3-pentanone	1217.42
furfural	1879.27
n-dodecane	11.19
diethylene glycol	580.82
diisopropyl ether	373.18
tert-amyl alcohol	976.68
acetylacetone	1594.54
n-hexadecane	13.65
acetophenone	611.64
methyl propionate	1536.31
isopentyl acetate	971.36
trichloroethylene	4305.08
n-nonanol	176.58
cyclohexanol	876.25
benzyl alcohol	535.4
2-ethylhexanol	408.73
isooctanol	200.26
dipropyl ether	510.87
1,2-dichlorobenzene	853.04
ethyl lactate	279.72
propylene carbonate	1259.71
n-methylformamide	1335.6
2-pentanol	854.17
n-pentane	83.6
1-propoxy-2-propanol	871.66
1-methoxy-2-propyl acetate	971.99
2-(2-methoxypropoxy) propanol	469.31
mesitylene	285.66
ε-caprolactone	1742.3
p-cymene	187.44
epichlorohydrin	3346.78
1,1,1-trichloroethane	2103.65
2-aminoethanol	442.76
morpholine-4-carbaldehyde	1328.87
sulfolane	2505.25
2,2,4-trimethylpentane	46.69
2-methyltetrahydrofuran	2638.96
n-hexyl acetate	635.26
isooctane	48.82
2-(2-butoxyethoxy)ethanol	787.82
sec-butyl acetate	599.11
tert-butyl acetate	902.47
decalin	68.54
glycerin	311.11
diglyme	1418.97
acrylic acid	678.46
isopropyl myristate	185.69
n-butyric acid	1512.68
acetyl acetate	724.85
di(2-ethylhexyl) phthalate	178.58
ethyl propionate	850.97
nitromethane	2058.9
1,2-diethoxyethane	1225.53
benzonitrile	888.55
trioctyl phosphate	128.03
1-bromopropane	1289.14
gamma-valerolactone	2510.32
n-decanol	128.27
triethyl phosphate	212.53
4-methyl-2-pentanol	399.04
propionitrile	1251.05
vinylene carbonate	1007.06
1,1,2-trichlorotrifluoroethane	1195.9
DMS	527.73
cumene	195.72
2-octanol	160.74
2-hexanone	1008.97
octyl acetate	236.44
limonene	281.35
1,2-dimethoxyethane	1248.9
ethyl orthosilicate	208.98
tributyl phosphate	191.63
diacetone alcohol	946.08
N,N-dimethylaniline	332.99
acrylonitrile	1436.48
aniline	1032.88
1,3-propanediol	725.43
bromobenzene	1197.21
dibromomethane	2284.55
1,1,2,2-tetrachloroethane	2596.0
2-methyl-cyclohexyl acetate	398.24
tetrabutyl urea	213.64
diisobutyl methanol	240.36
2-phenylethanol	525.62
styrene	462.47
dioctyl adipate	281.77
dimethyl sulfate	621.92
ethyl butyrate	727.64
methyl lactate	440.69
butyl lactate	364.13
diethyl carbonate	390.43
propanediol butyl ether	505.46
triethyl orthoformate	364.57
p-tert-butyltoluene	177.59
methyl 4-tert-butylbenzoate	384.01
morpholine	2384.57
tert-butylamine	779.09
n-dodecanol	93.94
dimethoxymethane	1248.24
ethylene carbonate	818.18
cyrene	358.61
2-ethoxyethyl acetate	757.76
2-ethylhexyl acetate	682.24
1,2,4-trichlorobenzene	993.26
4-methylpyridine	1928.96
dibutyl ether	355.91
2,6-dimethyl-4-heptanol	240.36
DEF	1408.33
dimethyl isosorbide	815.99
tetrachloroethylene	1578.56
eugenol	370.38
triacetin	505.06
span 80	370.12
1,4-butanediol	224.11
1,1-dichloroethane	2591.05
2-methyl-1-pentanol	546.71
methyl formate	952.21
2-methyl-1-butanol	894.45
n-decane	21.6
butyronitrile	1338.3
3,7-dimethyl-1-octanol	281.99
1-chlorooctane	163.25
1-chlorotetradecane	47.4
n-nonane	21.05
undecane	15.09
tert-butylcyclohexane	64.36
cyclooctane	43.99
cyclopentanol	1037.56
tetrahydropyran	2321.71
tert-amyl methyl ether	719.33
2,5,8-trioxanonane	747.1
1-hexene	394.15
2-isopropoxyethanol	542.74
2,2,2-trifluoroethanol	260.84
methyl butyrate	1177.27

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