Molecular formula
C12H18O

SMILES
CC1=C(C(CCC1)(C)C)C=CC=O

Fragrance
Sweet	76.09%
Woody	73.15%
Floral	72.12%
Fruity	67.69%
Violet	54.46%
Powdery	51.02%
Berry	49.3%
Orris	49.14%
Tobacco	41.75%
Tropical	41.69%

 

Flavor
Sweet	61.26%
Woody	58.23%
Spicy	50.4%
Floral	48.47%
Herbal	47.26%
Violet	36.07%
Fruity	35.39%
Spice	34.36%
Powdery	31.35%
Mint	31.32%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
9.09 (weak base)

Molecular weight
178.27 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 100.53 ˚C est.

• 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal
• DTXSID601236761
• 3-(2,6,6-trimethylcyclohex-1-enyl)-2-propenal

3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal is used primarily as an aroma ingredient and fixative in fragrance formulations, helping to retain and diffuse scent in perfumes. In cosmetics and personal care, it often serves as a fragrance component in creams, lotions, and shampoos. In household products, it may be added to cleaners, laundry products, and air fresheners to impart or enhance fragrance. In industrial manufacturing, it is considered an intermediate for the synthesis of downstream aroma compounds and may be incorporated in encapsulation systems or polymer/coating formulations to enable controlled scent release. Given its aldehyde functionality and terpenoid framework, it can also be evaluated as a fragrance modifier in plastics or coatings formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	903.98
methanol	825.62
isopropanol	493.87
water	0.4
ethyl acetate	2239.37
n-propanol	864.09
acetone	2632.62
n-butanol	629.08
acetonitrile	1807.89
DMF	2690.91
toluene	1382.52
isobutanol	493.26
1,4-dioxane	2265.83
methyl acetate	1949.19
THF	5467.07
2-butanone	2477.95
n-pentanol	311.55
sec-butanol	482.93
n-hexane	79.33
ethylene glycol	111.58
NMP	3269.49
cyclohexane	183.97
DMSO	2145.67
n-butyl acetate	1163.64
n-octanol	185.95
chloroform	2983.83
n-propyl acetate	792.2
acetic acid	549.56
dichloromethane	4064.2
cyclohexanone	3168.08
propylene glycol	166.16
isopropyl acetate	1049.07
DMAc	1316.96
2-ethoxyethanol	558.99
isopentanol	458.0
n-heptane	54.52
ethyl formate	1022.18
1,2-dichloroethane	3119.36
n-hexanol	497.37
2-methoxyethanol	1200.36
isobutyl acetate	408.79
tetrachloromethane	494.11
n-pentyl acetate	535.9
transcutol	3682.72
n-heptanol	178.42
ethylbenzene	400.24
MIBK	784.54
2-propoxyethanol	1037.62
tert-butanol	517.74
MTBE	949.61
2-butoxyethanol	427.08
propionic acid	766.61
o-xylene	533.13
formic acid	241.3
diethyl ether	1656.92
m-xylene	737.59
p-xylene	415.56
chlorobenzene	1575.97
dimethyl carbonate	725.09
n-octane	16.35
formamide	634.36
cyclopentanone	5205.3
2-pentanone	1943.23
anisole	911.11
cyclopentyl methyl ether	2351.07
gamma-butyrolactone	5238.85
1-methoxy-2-propanol	919.3
pyridine	2301.58
3-pentanone	1607.38
furfural	2409.77
n-dodecane	9.91
diethylene glycol	540.0
diisopropyl ether	361.89
tert-amyl alcohol	473.67
acetylacetone	1831.54
n-hexadecane	12.39
acetophenone	741.98
methyl propionate	1979.45
isopentyl acetate	887.52
trichloroethylene	5338.09
n-nonanol	154.54
cyclohexanol	696.29
benzyl alcohol	466.27
2-ethylhexanol	280.84
isooctanol	140.6
dipropyl ether	540.57
1,2-dichlorobenzene	1210.53
ethyl lactate	250.31
propylene carbonate	1605.42
n-methylformamide	1752.09
2-pentanol	388.38
n-pentane	90.4
1-propoxy-2-propanol	683.42
1-methoxy-2-propyl acetate	1203.26
2-(2-methoxypropoxy) propanol	443.22
mesitylene	368.36
ε-caprolactone	2296.98
p-cymene	222.28
epichlorohydrin	5303.9
1,1,1-trichloroethane	2345.91
2-aminoethanol	296.14
morpholine-4-carbaldehyde	2061.21
sulfolane	4133.38
2,2,4-trimethylpentane	41.01
2-methyltetrahydrofuran	3865.7
n-hexyl acetate	788.65
isooctane	36.53
2-(2-butoxyethoxy)ethanol	661.89
sec-butyl acetate	524.42
tert-butyl acetate	996.47
decalin	79.43
glycerin	210.33
diglyme	1433.02
acrylic acid	598.28
isopropyl myristate	212.0
n-butyric acid	970.19
acetyl acetate	865.84
di(2-ethylhexyl) phthalate	190.12
ethyl propionate	822.82
nitromethane	2207.71
1,2-diethoxyethane	1116.42
benzonitrile	963.64
trioctyl phosphate	139.96
1-bromopropane	1571.73
gamma-valerolactone	3961.57
n-decanol	103.8
triethyl phosphate	244.34
4-methyl-2-pentanol	208.16
propionitrile	1415.06
vinylene carbonate	1363.42
1,1,2-trichlorotrifluoroethane	1256.84
DMS	833.73
cumene	215.96
2-octanol	121.49
2-hexanone	790.61
octyl acetate	274.44
limonene	342.96
1,2-dimethoxyethane	1119.9
ethyl orthosilicate	233.38
tributyl phosphate	215.54
diacetone alcohol	838.05
N,N-dimethylaniline	440.21
acrylonitrile	1700.51
aniline	1126.87
1,3-propanediol	425.05
bromobenzene	1741.86
dibromomethane	2538.33
1,1,2,2-tetrachloroethane	2818.33
2-methyl-cyclohexyl acetate	442.24
tetrabutyl urea	250.03
diisobutyl methanol	164.53
2-phenylethanol	559.69
styrene	526.01
dioctyl adipate	317.75
dimethyl sulfate	1045.14
ethyl butyrate	657.86
methyl lactate	444.75
butyl lactate	361.26
diethyl carbonate	389.91
propanediol butyl ether	384.45
triethyl orthoformate	371.75
p-tert-butyltoluene	222.42
methyl 4-tert-butylbenzoate	457.48
morpholine	3004.97
tert-butylamine	369.44
n-dodecanol	71.66
dimethoxymethane	1901.53
ethylene carbonate	1158.33
cyrene	439.03
2-ethoxyethyl acetate	977.13
2-ethylhexyl acetate	714.73
1,2,4-trichlorobenzene	1353.78
4-methylpyridine	2525.75
dibutyl ether	360.64
2,6-dimethyl-4-heptanol	164.53
DEF	1673.25
dimethyl isosorbide	1109.68
tetrachloroethylene	1768.67
eugenol	405.39
triacetin	596.08
span 80	337.63
1,4-butanediol	120.86
1,1-dichloroethane	2707.43
2-methyl-1-pentanol	287.95
methyl formate	1327.65
2-methyl-1-butanol	466.1
n-decane	21.24
butyronitrile	1199.65
3,7-dimethyl-1-octanol	204.15
1-chlorooctane	182.61
1-chlorotetradecane	50.7
n-nonane	21.57
undecane	13.96
tert-butylcyclohexane	68.44
cyclooctane	66.05
cyclopentanol	928.03
tetrahydropyran	3041.47
tert-amyl methyl ether	674.59
2,5,8-trioxanonane	750.05
1-hexene	303.82
2-isopropoxyethanol	379.54
2,2,2-trifluoroethanol	246.92
methyl butyrate	1003.32

Scent© AI