Molecular formula
C14H22O

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

Fragrance
Woody	68.61%
Floral	56.24%
Sweet	51.08%
Violet	48.08%
Powdery	43.42%
Fruity	42.3%
Orris	41.42%
Berry	39.09%
Tropical	34.45%
Dry	34.02%

 

Flavor
Woody	63.38%
Floral	59.54%
Herbal	49.54%
Sweet	44.04%
Spicy	40.63%
Tropical	36.11%
Violet	33.27%
Wood	31.66%
Citrus	31.4%
Fresh	28.24%

 

Odor impact est.
High

XLogP3-AA
3.4

pKa est.
8.85 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 121.65 ˚C est.

• DTXSID0041438
• HVDGAAPQCCUWDO-UHFFFAOYSA-N
• NS00055433

2-Methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enal is primarily used in perfumery as an odorant and may act as a fragrance fixative; it is also considered a fragrance ingredient in cosmetics and personal care products; in household products it is commonly applied as a scent additive for cleaners and air fresheners; in industrial manufacturing it is often evaluated as an intermediate in fragrance synthesis; in coatings and inks it can be incorporated as a fragrance additive or scent-bearing component in scented coatings and printing inks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	563.79
methanol	566.03
isopropanol	392.02
water	0.13
ethyl acetate	1124.54
n-propanol	576.64
acetone	776.97
n-butanol	585.14
acetonitrile	624.85
DMF	845.06
toluene	1200.19
isobutanol	392.05
1,4-dioxane	1348.71
methyl acetate	782.44
THF	1837.04
2-butanone	1020.18
n-pentanol	366.76
sec-butanol	429.68
n-hexane	137.16
ethylene glycol	34.7
NMP	801.44
cyclohexane	232.12
DMSO	462.17
n-butyl acetate	1016.87
n-octanol	169.95
chloroform	2241.91
n-propyl acetate	600.61
acetic acid	262.66
dichloromethane	2051.87
cyclohexanone	1279.08
propylene glycol	82.43
isopropyl acetate	676.29
DMAc	644.78
2-ethoxyethanol	361.47
isopentanol	501.91
n-heptane	63.29
ethyl formate	454.94
1,2-dichloroethane	1263.45
n-hexanol	592.82
2-methoxyethanol	600.43
isobutyl acetate	389.73
tetrachloromethane	402.0
n-pentyl acetate	425.39
transcutol	2414.82
n-heptanol	206.19
ethylbenzene	430.07
MIBK	533.78
2-propoxyethanol	730.92
tert-butanol	506.7
MTBE	934.02
2-butoxyethanol	372.46
propionic acid	296.33
o-xylene	476.43
formic acid	79.88
diethyl ether	1217.31
m-xylene	630.03
p-xylene	462.8
chlorobenzene	1053.16
dimethyl carbonate	241.34
n-octane	17.86
formamide	158.51
cyclopentanone	1200.64
2-pentanone	940.31
anisole	701.95
cyclopentyl methyl ether	1020.75
gamma-butyrolactone	1068.4
1-methoxy-2-propanol	520.14
pyridine	1381.18
3-pentanone	703.2
furfural	961.49
n-dodecane	10.17
diethylene glycol	291.81
diisopropyl ether	325.79
tert-amyl alcohol	487.16
acetylacetone	687.23
n-hexadecane	12.87
acetophenone	546.86
methyl propionate	705.88
isopentyl acetate	818.42
trichloroethylene	2335.64
n-nonanol	152.18
cyclohexanol	545.42
benzyl alcohol	426.51
2-ethylhexanol	361.07
isooctanol	183.73
dipropyl ether	510.11
1,2-dichlorobenzene	802.5
ethyl lactate	177.87
propylene carbonate	620.57
n-methylformamide	395.49
2-pentanol	389.78
n-pentane	117.76
1-propoxy-2-propanol	611.24
1-methoxy-2-propyl acetate	832.23
2-(2-methoxypropoxy) propanol	407.93
mesitylene	342.82
ε-caprolactone	1038.93
p-cymene	233.42
epichlorohydrin	1553.79
1,1,1-trichloroethane	1295.9
2-aminoethanol	137.01
morpholine-4-carbaldehyde	948.25
sulfolane	886.18
2,2,4-trimethylpentane	60.91
2-methyltetrahydrofuran	1525.96
n-hexyl acetate	535.37
isooctane	54.24
2-(2-butoxyethoxy)ethanol	573.22
sec-butyl acetate	471.57
tert-butyl acetate	668.68
decalin	104.34
glycerin	102.25
diglyme	1048.26
acrylic acid	211.91
isopropyl myristate	181.4
n-butyric acid	590.46
acetyl acetate	451.33
di(2-ethylhexyl) phthalate	189.72
ethyl propionate	516.39
nitromethane	517.25
1,2-diethoxyethane	958.91
benzonitrile	707.21
trioctyl phosphate	117.0
1-bromopropane	973.2
gamma-valerolactone	1337.01
n-decanol	102.48
triethyl phosphate	197.98
4-methyl-2-pentanol	246.88
propionitrile	738.69
vinylene carbonate	587.72
1,1,2-trichlorotrifluoroethane	655.39
DMS	437.22
cumene	246.03
2-octanol	128.01
2-hexanone	609.1
octyl acetate	221.56
limonene	310.49
1,2-dimethoxyethane	811.69
ethyl orthosilicate	217.29
tributyl phosphate	168.45
diacetone alcohol	531.53
N,N-dimethylaniline	421.29
acrylonitrile	660.24
aniline	835.94
1,3-propanediol	243.4
bromobenzene	1196.91
dibromomethane	1442.3
1,1,2,2-tetrachloroethane	1625.0
2-methyl-cyclohexyl acetate	402.1
tetrabutyl urea	188.78
diisobutyl methanol	197.36
2-phenylethanol	518.04
styrene	543.5
dioctyl adipate	258.93
dimethyl sulfate	289.04
ethyl butyrate	567.98
methyl lactate	188.79
butyl lactate	278.89
diethyl carbonate	326.41
propanediol butyl ether	289.12
triethyl orthoformate	362.26
p-tert-butyltoluene	232.95
methyl 4-tert-butylbenzoate	382.73
morpholine	1646.61
tert-butylamine	423.91
n-dodecanol	71.06
dimethoxymethane	738.71
ethylene carbonate	504.55
cyrene	320.06
2-ethoxyethyl acetate	639.89
2-ethylhexyl acetate	685.08
1,2,4-trichlorobenzene	918.15
4-methylpyridine	1512.36
dibutyl ether	317.12
2,6-dimethyl-4-heptanol	197.36
DEF	905.37
dimethyl isosorbide	736.16
tetrachloroethylene	1020.33
eugenol	357.56
triacetin	435.32
span 80	320.37
1,4-butanediol	83.94
1,1-dichloroethane	1325.58
2-methyl-1-pentanol	378.86
methyl formate	261.93
2-methyl-1-butanol	484.58
n-decane	22.73
butyronitrile	829.1
3,7-dimethyl-1-octanol	225.62
1-chlorooctane	151.67
1-chlorotetradecane	44.4
n-nonane	22.69
undecane	14.46
tert-butylcyclohexane	96.65
cyclooctane	75.51
cyclopentanol	419.42
tetrahydropyran	1807.19
tert-amyl methyl ether	602.52
2,5,8-trioxanonane	627.91
1-hexene	457.88
2-isopropoxyethanol	293.58
2,2,2-trifluoroethanol	85.26
methyl butyrate	649.86

Scent© AI