Molecular formula
C10H10O3

SMILES
COC1=C(C=CC(=C1)C=CC=O)O

Fragrance
Sweet	84.76%
Spicy	79.27%
Vanilla	76.35%
Cinnamon	55.36%
Balsamic	50.05%
Creamy	48.77%
Warm	45.46%
Clove	45.29%
Powdery	42.91%
Woody	41.53%

 

Flavor
Sweet	77.61%
Woody	53.46%
Vanilla	52.35%
Spicy	50.6%
Cinnamon	48.36%
Spice	41.17%
Clove	35.87%
Almond	35.26%
Creamy	35.23%
Powdery	32.93%

 

Odor impact est.
Medium

XLogP3-AA
1.5

pKa est.
8.86 (weak base)

Molecular weight
178.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
337°C

Flash point

• 145.07 ˚C est.

• 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
• DTXSID8075047
• SCHEMBL2506066
• DTXCID2040448
• E-Coniferyl aldehyde; trans-Coniferaldehyde; trans-Coniferyl aldehyde
• AKOS028109880
• 3-(4-hydroxy-3-methoxy-phenyl)-propenal
• DB-070685
• NS00022205
• Q5161074

2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)- is a fragrance-related aldehyde precursor derived from the vanillin family, used in the synthesis of aroma compounds. In industry, it is commonly employed as a fragrance intermediate or component in perfumery and cosmetics/personal care; it may also be used as an aroma ingredient in household cleaning products to impart vanilla- or spice-like notes. Additionally, the compound can serve as an intermediate in the synthesis of polymer/plastic materials with incorporated fragrance and may be evaluated for flavor applications in food formulations, subject to regulatory constraints. Its use is governed by local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	77.96
methanol	103.5
isopropanol	43.59
water	0.56
ethyl acetate	161.01
n-propanol	48.33
acetone	161.49
n-butanol	32.95
acetonitrile	105.35
DMF	156.29
toluene	26.75
isobutanol	28.87
1,4-dioxane	263.18
methyl acetate	165.35
THF	318.8
2-butanone	111.19
n-pentanol	34.85
sec-butanol	39.1
n-hexane	1.69
ethylene glycol	71.7
NMP	89.65
cyclohexane	2.97
DMSO	371.95
n-butyl acetate	60.41
n-octanol	25.29
chloroform	104.44
n-propyl acetate	86.46
acetic acid	133.12
dichloromethane	151.09
cyclohexanone	93.97
propylene glycol	49.39
isopropyl acetate	61.47
DMAc	155.28
2-ethoxyethanol	145.72
isopentanol	35.93
n-heptane	4.05
ethyl formate	84.86
1,2-dichloroethane	127.55
n-hexanol	41.91
2-methoxyethanol	186.39
isobutyl acetate	46.84
tetrachloromethane	12.26
n-pentyl acetate	32.76
transcutol	265.12
n-heptanol	25.43
ethylbenzene	21.06
MIBK	55.61
2-propoxyethanol	104.07
tert-butanol	162.15
MTBE	75.17
2-butoxyethanol	60.86
propionic acid	74.65
o-xylene	24.22
formic acid	84.62
diethyl ether	70.21
m-xylene	22.97
p-xylene	24.88
chlorobenzene	36.27
dimethyl carbonate	68.09
n-octane	2.98
formamide	196.55
cyclopentanone	151.01
2-pentanone	73.31
anisole	74.88
cyclopentyl methyl ether	72.76
gamma-butyrolactone	211.79
1-methoxy-2-propanol	109.78
pyridine	91.24
3-pentanone	58.94
furfural	159.1
n-dodecane	3.35
diethylene glycol	135.77
diisopropyl ether	19.76
tert-amyl alcohol	79.83
acetylacetone	118.24
n-hexadecane	3.68
acetophenone	66.44
methyl propionate	103.47
isopentyl acetate	52.35
trichloroethylene	186.78
n-nonanol	24.2
cyclohexanol	35.88
benzyl alcohol	56.05
2-ethylhexanol	29.98
isooctanol	22.83
dipropyl ether	36.08
1,2-dichlorobenzene	39.62
ethyl lactate	50.61
propylene carbonate	93.85
n-methylformamide	114.69
2-pentanol	27.19
n-pentane	1.4
1-propoxy-2-propanol	66.12
1-methoxy-2-propyl acetate	75.6
2-(2-methoxypropoxy) propanol	75.77
mesitylene	18.11
ε-caprolactone	89.04
p-cymene	18.36
epichlorohydrin	248.73
1,1,1-trichloroethane	76.07
2-aminoethanol	73.76
morpholine-4-carbaldehyde	151.76
sulfolane	214.88
2,2,4-trimethylpentane	3.03
2-methyltetrahydrofuran	124.42
n-hexyl acetate	45.45
isooctane	2.79
2-(2-butoxyethoxy)ethanol	91.69
sec-butyl acetate	51.37
tert-butyl acetate	80.16
decalin	4.75
glycerin	96.47
diglyme	176.07
acrylic acid	75.78
isopropyl myristate	25.04
n-butyric acid	73.82
acetyl acetate	77.16
di(2-ethylhexyl) phthalate	25.03
ethyl propionate	68.6
nitromethane	280.41
1,2-diethoxyethane	81.26
benzonitrile	53.9
trioctyl phosphate	19.84
1-bromopropane	38.44
gamma-valerolactone	169.38
n-decanol	20.19
triethyl phosphate	36.86
4-methyl-2-pentanol	23.46
propionitrile	76.51
vinylene carbonate	88.06
1,1,2-trichlorotrifluoroethane	146.72
DMS	62.41
cumene	17.96
2-octanol	17.89
2-hexanone	64.4
octyl acetate	29.53
limonene	23.92
1,2-dimethoxyethane	200.88
ethyl orthosilicate	32.73
tributyl phosphate	24.11
diacetone alcohol	102.58
N,N-dimethylaniline	46.6
acrylonitrile	106.0
aniline	47.25
1,3-propanediol	89.63
bromobenzene	33.36
dibromomethane	79.97
1,1,2,2-tetrachloroethane	125.95
2-methyl-cyclohexyl acetate	45.31
tetrabutyl urea	33.74
diisobutyl methanol	23.86
2-phenylethanol	50.83
styrene	26.41
dioctyl adipate	39.33
dimethyl sulfate	103.78
ethyl butyrate	52.52
methyl lactate	63.4
butyl lactate	33.07
diethyl carbonate	45.51
propanediol butyl ether	53.73
triethyl orthoformate	41.01
p-tert-butyltoluene	18.52
methyl 4-tert-butylbenzoate	58.96
morpholine	219.83
tert-butylamine	53.48
n-dodecanol	17.25
dimethoxymethane	155.48
ethylene carbonate	73.79
cyrene	79.49
2-ethoxyethyl acetate	63.2
2-ethylhexyl acetate	39.17
1,2,4-trichlorobenzene	49.27
4-methylpyridine	65.22
dibutyl ether	31.49
2,6-dimethyl-4-heptanol	23.86
DEF	75.12
dimethyl isosorbide	116.75
tetrachloroethylene	76.54
eugenol	59.92
triacetin	64.0
span 80	48.57
1,4-butanediol	40.99
1,1-dichloroethane	84.56
2-methyl-1-pentanol	34.74
methyl formate	126.73
2-methyl-1-butanol	28.88
n-decane	4.6
butyronitrile	51.78
3,7-dimethyl-1-octanol	27.88
1-chlorooctane	17.97
1-chlorotetradecane	9.53
n-nonane	4.11
undecane	3.86
tert-butylcyclohexane	4.83
cyclooctane	1.93
cyclopentanol	45.72
tetrahydropyran	120.34
tert-amyl methyl ether	51.23
2,5,8-trioxanonane	133.09
1-hexene	10.23
2-isopropoxyethanol	92.79
2,2,2-trifluoroethanol	67.78
methyl butyrate	82.73

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