Molecular formula
C11H12O3

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

Fragrance
Sweet	59.02%
Vanilla	53.77%
Spicy	48.08%
Caramellic	40.98%
Creamy	34.55%
Burnt	32.01%
Balsamic	30.29%
Roasted	29.13%
Phenolic	27.92%
Milky	26.34%

 

Flavor
Sweet	47.43%
Vanilla	25.11%
Spicy	24.98%
Creamy	24.98%
Powdery	24.87%
Mild	23.87%
Odorless	23.68%
Caramel	23.58%
Phenolic	23.48%
Bitter	23.36%

 

Odor impact est.
Medium

XLogP3-AA
1.3

pKa est.
9.12 (weak base)

Molecular weight
192.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
331°C

Flash point

• 137.89 ˚C est.

• Allylvanillin
• SCHEMBL20897645

Allyl vanillin is commonly used as an aroma chemical in perfumery and as a flavor ingredient to impart vanilla-like notes; it also serves in cosmetics and personal care products for fragrance, and in household products such as cleaners and air fresheners for scent enhancement. In coatings and inks, it can function as a fragrance additive and contribute to scent retention. The molecule's allyl group enables potential use as a functional intermediate or a monomer/crosslinking modifier in certain polymer and UV-curable coating formulations, though such use is formulation-dependent and may be limited by regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	214.76
methanol	304.41
isopropanol	148.78
water	0.5
ethyl acetate	374.15
n-propanol	173.74
acetone	516.74
n-butanol	113.84
acetonitrile	322.62
DMF	626.1
toluene	39.65
isobutanol	91.53
1,4-dioxane	395.13
methyl acetate	438.85
THF	635.31
2-butanone	339.68
n-pentanol	85.57
sec-butanol	133.6
n-hexane	1.89
ethylene glycol	89.62
NMP	364.64
cyclohexane	4.32
DMSO	1000.83
n-butyl acetate	160.9
n-octanol	38.07
chloroform	195.74
n-propyl acetate	194.59
acetic acid	337.39
dichloromethane	342.92
cyclohexanone	293.01
propylene glycol	82.29
isopropyl acetate	136.02
DMAc	432.4
2-ethoxyethanol	261.42
isopentanol	100.62
n-heptane	2.9
ethyl formate	190.08
1,2-dichloroethane	266.89
n-hexanol	76.03
2-methoxyethanol	422.2
isobutyl acetate	86.9
tetrachloromethane	17.12
n-pentyl acetate	63.81
transcutol	662.35
n-heptanol	35.37
ethylbenzene	34.18
MIBK	115.33
2-propoxyethanol	168.26
tert-butanol	294.08
MTBE	174.13
2-butoxyethanol	94.99
propionic acid	194.88
o-xylene	37.83
formic acid	177.48
diethyl ether	172.5
m-xylene	38.33
p-xylene	42.46
chlorobenzene	79.86
dimethyl carbonate	135.16
n-octane	1.91
formamide	559.6
cyclopentanone	474.24
2-pentanone	234.72
anisole	128.74
cyclopentyl methyl ether	172.02
gamma-butyrolactone	598.41
1-methoxy-2-propanol	237.87
pyridine	214.62
3-pentanone	164.33
furfural	382.54
n-dodecane	2.57
diethylene glycol	183.41
diisopropyl ether	32.63
tert-amyl alcohol	211.39
acetylacetone	289.49
n-hexadecane	2.97
acetophenone	131.32
methyl propionate	290.52
isopentyl acetate	117.03
trichloroethylene	442.9
n-nonanol	36.02
cyclohexanol	96.76
benzyl alcohol	105.8
2-ethylhexanol	49.29
isooctanol	31.73
dipropyl ether	53.8
1,2-dichlorobenzene	78.82
ethyl lactate	81.66
propylene carbonate	219.87
n-methylformamide	371.93
2-pentanol	78.27
n-pentane	1.83
1-propoxy-2-propanol	110.05
1-methoxy-2-propyl acetate	142.3
2-(2-methoxypropoxy) propanol	121.88
mesitylene	24.89
ε-caprolactone	246.77
p-cymene	24.02
epichlorohydrin	586.72
1,1,1-trichloroethane	138.26
2-aminoethanol	132.59
morpholine-4-carbaldehyde	377.67
sulfolane	571.67
2,2,4-trimethylpentane	3.7
2-methyltetrahydrofuran	327.84
n-hexyl acetate	96.05
isooctane	2.77
2-(2-butoxyethoxy)ethanol	162.47
sec-butyl acetate	100.78
tert-butyl acetate	146.27
decalin	5.41
glycerin	145.81
diglyme	336.57
acrylic acid	181.39
isopropyl myristate	38.28
n-butyric acid	181.57
acetyl acetate	173.14
di(2-ethylhexyl) phthalate	39.03
ethyl propionate	148.08
nitromethane	823.47
1,2-diethoxyethane	162.09
benzonitrile	115.53
trioctyl phosphate	29.13
1-bromopropane	80.32
gamma-valerolactone	436.81
n-decanol	28.06
triethyl phosphate	57.18
4-methyl-2-pentanol	45.34
propionitrile	198.28
vinylene carbonate	194.26
1,1,2-trichlorotrifluoroethane	286.42
DMS	122.72
cumene	25.45
2-octanol	26.15
2-hexanone	143.49
octyl acetate	47.16
limonene	36.43
1,2-dimethoxyethane	367.64
ethyl orthosilicate	49.22
tributyl phosphate	38.59
diacetone alcohol	189.29
N,N-dimethylaniline	74.39
acrylonitrile	277.39
aniline	99.71
1,3-propanediol	172.24
bromobenzene	65.91
dibromomethane	163.72
1,1,2,2-tetrachloroethane	268.28
2-methyl-cyclohexyl acetate	75.44
tetrabutyl urea	52.04
diisobutyl methanol	31.74
2-phenylethanol	82.74
styrene	44.56
dioctyl adipate	63.14
dimethyl sulfate	215.55
ethyl butyrate	108.54
methyl lactate	109.92
butyl lactate	57.41
diethyl carbonate	82.17
propanediol butyl ether	97.78
triethyl orthoformate	68.52
p-tert-butyltoluene	23.44
methyl 4-tert-butylbenzoate	90.81
morpholine	451.8
tert-butylamine	99.18
n-dodecanol	22.03
dimethoxymethane	362.24
ethylene carbonate	160.38
cyrene	127.98
2-ethoxyethyl acetate	127.88
2-ethylhexyl acetate	83.57
1,2,4-trichlorobenzene	101.9
4-methylpyridine	181.98
dibutyl ether	54.12
2,6-dimethyl-4-heptanol	31.74
DEF	232.08
dimethyl isosorbide	186.37
tetrachloroethylene	163.18
eugenol	89.76
triacetin	119.38
span 80	78.31
1,4-butanediol	65.06
1,1-dichloroethane	184.08
2-methyl-1-pentanol	81.89
methyl formate	348.42
2-methyl-1-butanol	88.87
n-decane	3.89
butyronitrile	137.48
3,7-dimethyl-1-octanol	43.71
1-chlorooctane	23.59
1-chlorotetradecane	10.1
n-nonane	3.19
undecane	3.11
tert-butylcyclohexane	5.49
cyclooctane	1.71
cyclopentanol	128.28
tetrahydropyran	269.69
tert-amyl methyl ether	118.74
2,5,8-trioxanonane	215.94
1-hexene	16.4
2-isopropoxyethanol	156.34
2,2,2-trifluoroethanol	129.41
methyl butyrate	191.31

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