Molecular formula
C16H22O3

SMILES
CCCCCC=C(C=O)C1=CC(=C(C=C1)OC)OC

Fragrance
Floral	60.05%
Sweet	49.13%
Green	44.43%
Spicy	41.93%
Fresh	39.29%
Fruity	39.28%
Waxy	35.11%
Jasmin	34.17%
Herbal	31.22%
Fatty	28.76%

 

Flavor
Herbal	42.9%
Floral	31.65%
Bitter	31.17%
Spicy	30.12%
Woody	28.09%
Green	25.45%
Fruity	25.35%
Oily	24.23%
Warm	24.11%
Spice	21.15%

 

Odor impact est.
Low

XLogP3-AA
4.2

pKa est.
8.03 (weak base)

Molecular weight
262.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
390°C

Flash point

• 152.89 ˚C est.

2-(3,4-dimethoxyphenyl)oct-2-enal is primarily regarded as a fragrance ingredient and a synthetic intermediate for aroma compounds, used to add or adjust scent notes in perfumery and personal care formulations. It may function as an odorant or as a building block for aroma compounds in industrial fragrance chemistry. Owing to its aldehyde group and the 3,4-dimethoxyphenyl ring, it can serve as a building block for aroma formulations in household products such as cleaners and bath products. In addition, it may be evaluated for aroma applications in the food sector, subject to appropriate regulation and formulation controls. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	200.99
methanol	253.32
isopropanol	127.59
water	0.13
ethyl acetate	1151.21
n-propanol	203.5
acetone	1264.15
n-butanol	190.55
acetonitrile	749.69
DMF	1087.91
toluene	322.05
isobutanol	146.19
1,4-dioxane	795.43
methyl acetate	859.11
THF	823.34
2-butanone	756.0
n-pentanol	125.53
sec-butanol	141.43
n-hexane	18.41
ethylene glycol	74.26
NMP	939.46
cyclohexane	80.42
DMSO	1491.68
n-butyl acetate	453.69
n-octanol	41.79
chloroform	2962.87
n-propyl acetate	455.87
acetic acid	659.44
dichloromethane	3912.28
cyclohexanone	1168.94
propylene glycol	81.57
isopropyl acetate	540.63
DMAc	784.4
2-ethoxyethanol	369.49
isopentanol	189.18
n-heptane	10.56
ethyl formate	436.59
1,2-dichloroethane	3183.27
n-hexanol	125.0
2-methoxyethanol	606.52
isobutyl acetate	242.52
tetrachloromethane	353.84
n-pentyl acetate	212.46
transcutol	1241.54
n-heptanol	55.48
ethylbenzene	137.4
MIBK	362.52
2-propoxyethanol	339.97
tert-butanol	247.48
MTBE	358.43
2-butoxyethanol	174.04
propionic acid	409.94
o-xylene	197.06
formic acid	189.93
diethyl ether	551.66
m-xylene	195.93
p-xylene	168.35
chlorobenzene	842.06
dimethyl carbonate	466.52
n-octane	5.54
formamide	488.17
cyclopentanone	1295.1
2-pentanone	668.68
anisole	381.19
cyclopentyl methyl ether	512.84
gamma-butyrolactone	1395.48
1-methoxy-2-propanol	395.92
pyridine	944.31
3-pentanone	642.08
furfural	1148.97
n-dodecane	4.85
diethylene glycol	309.0
diisopropyl ether	133.35
tert-amyl alcohol	203.23
acetylacetone	1055.01
n-hexadecane	5.94
acetophenone	398.79
methyl propionate	816.45
isopentyl acetate	349.79
trichloroethylene	4923.59
n-nonanol	44.07
cyclohexanol	283.56
benzyl alcohol	271.88
2-ethylhexanol	94.75
isooctanol	56.23
dipropyl ether	146.54
1,2-dichlorobenzene	775.43
ethyl lactate	191.32
propylene carbonate	725.94
n-methylformamide	551.34
2-pentanol	132.82
n-pentane	18.56
1-propoxy-2-propanol	217.46
1-methoxy-2-propyl acetate	451.19
2-(2-methoxypropoxy) propanol	200.58
mesitylene	128.82
ε-caprolactone	834.47
p-cymene	83.21
epichlorohydrin	2042.16
1,1,1-trichloroethane	1972.02
2-aminoethanol	129.37
morpholine-4-carbaldehyde	806.01
sulfolane	1674.89
2,2,4-trimethylpentane	18.17
2-methyltetrahydrofuran	595.3
n-hexyl acetate	225.86
isooctane	13.26
2-(2-butoxyethoxy)ethanol	272.82
sec-butyl acetate	296.54
tert-butyl acetate	565.56
decalin	34.01
glycerin	175.11
diglyme	679.31
acrylic acid	453.28
isopropyl myristate	88.04
n-butyric acid	601.9
acetyl acetate	847.45
di(2-ethylhexyl) phthalate	92.31
ethyl propionate	453.18
nitromethane	1931.07
1,2-diethoxyethane	443.56
benzonitrile	404.17
trioctyl phosphate	62.35
1-bromopropane	845.28
gamma-valerolactone	1273.11
n-decanol	33.93
triethyl phosphate	160.56
4-methyl-2-pentanol	89.15
propionitrile	459.98
vinylene carbonate	723.74
1,1,2-trichlorotrifluoroethane	1310.46
DMS	418.1
cumene	88.46
2-octanol	36.37
2-hexanone	338.21
octyl acetate	108.33
limonene	122.64
1,2-dimethoxyethane	633.99
ethyl orthosilicate	144.29
tributyl phosphate	99.38
diacetone alcohol	437.3
N,N-dimethylaniline	195.94
acrylonitrile	745.17
aniline	445.34
1,3-propanediol	218.47
bromobenzene	969.41
dibromomethane	2109.99
1,1,2,2-tetrachloroethane	3175.06
2-methyl-cyclohexyl acetate	216.0
tetrabutyl urea	120.39
diisobutyl methanol	66.95
2-phenylethanol	236.69
styrene	217.78
dioctyl adipate	152.92
dimethyl sulfate	708.94
ethyl butyrate	309.23
methyl lactate	291.03
butyl lactate	155.31
diethyl carbonate	242.98
propanediol butyl ether	129.5
triethyl orthoformate	197.1
p-tert-butyltoluene	76.27
methyl 4-tert-butylbenzoate	227.39
morpholine	873.0
tert-butylamine	137.67
n-dodecanol	27.23
dimethoxymethane	754.44
ethylene carbonate	608.87
cyrene	254.04
2-ethoxyethyl acetate	389.12
2-ethylhexyl acetate	282.59
1,2,4-trichlorobenzene	877.68
4-methylpyridine	753.4
dibutyl ether	110.87
2,6-dimethyl-4-heptanol	66.95
DEF	807.04
dimethyl isosorbide	422.21
tetrachloroethylene	1874.85
eugenol	209.28
triacetin	301.18
span 80	151.1
1,4-butanediol	87.85
1,1-dichloroethane	1813.71
2-methyl-1-pentanol	140.13
methyl formate	512.88
2-methyl-1-butanol	180.03
n-decane	7.64
butyronitrile	384.2
3,7-dimethyl-1-octanol	66.45
1-chlorooctane	58.15
1-chlorotetradecane	23.34
n-nonane	6.77
undecane	5.82
tert-butylcyclohexane	24.18
cyclooctane	21.08
cyclopentanol	241.77
tetrahydropyran	731.71
tert-amyl methyl ether	258.96
2,5,8-trioxanonane	389.0
1-hexene	81.95
2-isopropoxyethanol	229.58
2,2,2-trifluoroethanol	349.15
methyl butyrate	541.89

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