Molecular formula
C19H20O2

SMILES
COC1=C(C=CC(=C1)CC=C)OCC=CC2=CC=CC=C2

Fragrance
Spicy	76.6%
Floral	74.17%
Balsamic	63.61%
Sweet	61.85%
Cinnamon	48.66%
Warm	44.39%
Clove	39.04%
Powdery	34.85%
Woody	33.44%
Herbal	30.64%

 

Flavor
Sweet	71.86%
Balsam	59.42%
Floral	55.06%
Spicy	53.97%
Green	48.19%
Cinnamon	46.95%
Spice	46.42%
Clove	42.66%
Anise	41.05%
Fresh	39.45%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
6.74 (neutral)

Molecular weight
280.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
411°C

Flash point

• 168.61 ˚C est.

2-methoxy-1-(3-phenylprop-2-enoxy)-4-prop-2-enylbenzene (CAS number: ) is used in perfumery and aroma-related applications as a fragrance ingredient and potential fixative; its aromatic methoxy core and allyl substituents support moderate volatility and compatibility with other aroma compounds. It is often evaluated as an intermediate in fragrance synthesis and as a reactive monomer or crosslinking component in UV-curable coatings and inks. The compound may also serve in cosmetics and personal care formulations as a fragrance ingredient or precursor, subject to formulation constraints. In industrial manufacturing, it is explored as a specialty chemical building block for aroma-related intermediates and polymerizable materials. Additionally, it can be considered in polymer and plastics applications where its allyl groups enable crosslinking or grafting onto polymer chains.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	321.33
methanol	223.36
isopropanol	211.96
water	0.1
ethyl acetate	1229.96
n-propanol	285.4
acetone	1164.06
n-butanol	260.57
acetonitrile	652.82
DMF	416.63
toluene	567.7
isobutanol	199.38
1,4-dioxane	1168.79
methyl acetate	774.0
THF	1922.64
2-butanone	746.29
n-pentanol	183.26
sec-butanol	237.87
n-hexane	49.7
ethylene glycol	43.36
NMP	301.38
cyclohexane	210.59
DMSO	1475.97
n-butyl acetate	359.99
n-octanol	68.92
chloroform	3003.56
n-propyl acetate	428.65
acetic acid	391.3
dichloromethane	4187.04
cyclohexanone	917.4
propylene glycol	88.59
isopropyl acetate	468.61
DMAc	441.89
2-ethoxyethanol	338.68
isopentanol	201.32
n-heptane	47.82
ethyl formate	420.83
1,2-dichloroethane	2955.97
n-hexanol	158.39
2-methoxyethanol	464.08
isobutyl acetate	238.29
tetrachloromethane	291.3
n-pentyl acetate	190.54
transcutol	1060.54
n-heptanol	74.71
ethylbenzene	174.75
MIBK	335.61
2-propoxyethanol	273.61
tert-butanol	272.69
MTBE	387.63
2-butoxyethanol	160.72
propionic acid	283.66
o-xylene	192.26
formic acid	72.48
diethyl ether	991.05
m-xylene	235.19
p-xylene	174.46
chlorobenzene	696.77
dimethyl carbonate	342.38
n-octane	21.32
formamide	191.78
cyclopentanone	1058.58
2-pentanone	699.72
anisole	357.73
cyclopentyl methyl ether	655.34
gamma-butyrolactone	1070.88
1-methoxy-2-propanol	325.1
pyridine	991.5
3-pentanone	569.86
furfural	693.63
n-dodecane	14.67
diethylene glycol	193.28
diisopropyl ether	172.54
tert-amyl alcohol	221.88
acetylacetone	789.52
n-hexadecane	17.25
acetophenone	295.06
methyl propionate	676.79
isopentyl acetate	301.27
trichloroethylene	3338.04
n-nonanol	70.28
cyclohexanol	317.75
benzyl alcohol	221.83
2-ethylhexanol	112.84
isooctanol	73.62
dipropyl ether	278.68
1,2-dichlorobenzene	495.77
ethyl lactate	135.2
propylene carbonate	523.89
n-methylformamide	268.47
2-pentanol	204.35
n-pentane	54.6
1-propoxy-2-propanol	199.62
1-methoxy-2-propyl acetate	356.78
2-(2-methoxypropoxy) propanol	171.91
mesitylene	128.54
ε-caprolactone	612.36
p-cymene	90.14
epichlorohydrin	2019.99
1,1,1-trichloroethane	1549.21
2-aminoethanol	95.24
morpholine-4-carbaldehyde	406.61
sulfolane	974.72
2,2,4-trimethylpentane	27.64
2-methyltetrahydrofuran	920.47
n-hexyl acetate	217.43
isooctane	24.53
2-(2-butoxyethoxy)ethanol	245.88
sec-butyl acetate	261.0
tert-butyl acetate	385.6
decalin	55.58
glycerin	106.65
diglyme	623.25
acrylic acid	218.08
isopropyl myristate	100.78
n-butyric acid	481.62
acetyl acetate	578.8
di(2-ethylhexyl) phthalate	82.42
ethyl propionate	386.27
nitromethane	1038.27
1,2-diethoxyethane	503.11
benzonitrile	308.94
trioctyl phosphate	58.95
1-bromopropane	1204.96
gamma-valerolactone	860.66
n-decanol	54.32
triethyl phosphate	146.6
4-methyl-2-pentanol	101.39
propionitrile	447.56
vinylene carbonate	457.79
1,1,2-trichlorotrifluoroethane	645.35
DMS	290.7
cumene	97.13
2-octanol	55.01
2-hexanone	344.38
octyl acetate	113.39
limonene	134.01
1,2-dimethoxyethane	654.35
ethyl orthosilicate	141.38
tributyl phosphate	82.49
diacetone alcohol	306.04
N,N-dimethylaniline	168.23
acrylonitrile	507.58
aniline	394.58
1,3-propanediol	188.33
bromobenzene	831.63
dibromomethane	2567.97
1,1,2,2-tetrachloroethane	2515.92
2-methyl-cyclohexyl acetate	205.85
tetrabutyl urea	104.41
diisobutyl methanol	88.84
2-phenylethanol	185.56
styrene	254.43
dioctyl adipate	156.96
dimethyl sulfate	387.84
ethyl butyrate	319.52
methyl lactate	176.88
butyl lactate	121.35
diethyl carbonate	238.75
propanediol butyl ether	114.5
triethyl orthoformate	207.29
p-tert-butyltoluene	83.88
methyl 4-tert-butylbenzoate	188.32
morpholine	1085.59
tert-butylamine	160.04
n-dodecanol	44.41
dimethoxymethane	718.56
ethylene carbonate	425.62
cyrene	186.79
2-ethoxyethyl acetate	304.67
2-ethylhexyl acetate	227.85
1,2,4-trichlorobenzene	521.51
4-methylpyridine	666.89
dibutyl ether	198.11
2,6-dimethyl-4-heptanol	88.84
DEF	489.57
dimethyl isosorbide	353.32
tetrachloroethylene	1302.87
eugenol	164.28
triacetin	246.06
span 80	128.38
1,4-butanediol	80.24
1,1-dichloroethane	1921.21
2-methyl-1-pentanol	167.94
methyl formate	314.91
2-methyl-1-butanol	199.62
n-decane	25.31
butyronitrile	453.68
3,7-dimethyl-1-octanol	85.81
1-chlorooctane	106.28
1-chlorotetradecane	41.54
n-nonane	25.96
undecane	18.22
tert-butylcyclohexane	41.13
cyclooctane	61.39
cyclopentanol	287.61
tetrahydropyran	1392.39
tert-amyl methyl ether	264.37
2,5,8-trioxanonane	366.76
1-hexene	163.47
2-isopropoxyethanol	227.14
2,2,2-trifluoroethanol	135.9
methyl butyrate	441.94

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