Molecular formula
C11H14O

SMILES
CC1=CC=C(C=C1)CC=COC

Fragrance
Green	91.89%
Fatty	60.3%
Leafy	41.25%
Fresh	37.53%
Vegetable	34.93%
Floral	34.11%
Muguet	32.07%
Spicy	31.98%
Herbal	31.44%
Cortex	30.67%

 

Flavor
Green	57.81%
Sweet	56.84%
Floral	49.6%
Spicy	48.07%
Balsam	47.9%
Bitter	40.69%
Fresh	38.32%
Hyacinth	38.2%
Anise	38.2%
Rose	37.5%

 

Odor impact est.
High

XLogP3-AA
3.0

pKa est.
6.91 (neutral)

Molecular weight
162.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
229°C

Flash point

• 92.42 ˚C est.

• SCHEMBL1781780
• TVITZWTYONQLBA-UHFFFAOYSA-N
• 4-Methyl 1-(3-methoxy-2-propen-1-yl)benzene

4-Methyl 1-(3-methoxy-2-propen-1-yl)benzene may serve as a fragrance ingredient and fragrance intermediate; in cosmetics and personal care it can act as a fragrance component, and in household products as a fragrance additive; the vinyl functionality enables it to act as a monomer or intermediate for the synthesis of specialty polymers used in coatings, inks and adhesives; it can also serve as a precursor in the synthesis of other anisole-based fragrance compounds; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1169.03
methanol	690.55
isopropanol	728.57
water	0.46
ethyl acetate	2031.34
n-propanol	892.65
acetone	434.22
n-butanol	813.69
acetonitrile	825.11
DMF	234.58
toluene	677.54
isobutanol	505.33
1,4-dioxane	2710.01
methyl acetate	1067.81
THF	1064.4
2-butanone	721.65
n-pentanol	469.46
sec-butanol	652.79
n-hexane	101.73
ethylene glycol	203.88
NMP	122.89
cyclohexane	195.73
DMSO	438.76
n-butyl acetate	573.94
n-octanol	101.12
chloroform	2307.02
n-propyl acetate	487.9
acetic acid	526.01
dichloromethane	2197.64
cyclohexanone	533.36
propylene glycol	394.17
isopropyl acetate	614.18
DMAc	323.25
2-ethoxyethanol	937.29
isopentanol	508.64
n-heptane	80.69
ethyl formate	438.22
1,2-dichloroethane	1471.14
n-hexanol	552.63
2-methoxyethanol	1232.45
isobutyl acetate	269.83
tetrachloromethane	276.54
n-pentyl acetate	171.38
transcutol	2480.8
n-heptanol	134.98
ethylbenzene	238.11
MIBK	280.68
2-propoxyethanol	886.47
tert-butanol	788.74
MTBE	878.47
2-butoxyethanol	295.9
propionic acid	453.21
o-xylene	251.45
formic acid	138.84
diethyl ether	2010.3
m-xylene	288.11
p-xylene	212.37
chlorobenzene	470.13
dimethyl carbonate	225.65
n-octane	22.34
formamide	231.48
cyclopentanone	345.46
2-pentanone	581.91
anisole	508.37
cyclopentyl methyl ether	562.36
gamma-butyrolactone	458.41
1-methoxy-2-propanol	808.76
pyridine	1275.13
3-pentanone	498.07
furfural	550.98
n-dodecane	16.12
diethylene glycol	638.24
diisopropyl ether	295.23
tert-amyl alcohol	582.16
acetylacetone	512.8
n-hexadecane	18.71
acetophenone	297.67
methyl propionate	809.96
isopentyl acetate	444.33
trichloroethylene	2044.51
n-nonanol	99.68
cyclohexanol	466.49
benzyl alcohol	354.25
2-ethylhexanol	274.01
isooctanol	110.96
dipropyl ether	572.59
1,2-dichlorobenzene	342.24
ethyl lactate	183.68
propylene carbonate	313.55
n-methylformamide	243.63
2-pentanol	522.78
n-pentane	117.36
1-propoxy-2-propanol	558.6
1-methoxy-2-propyl acetate	589.38
2-(2-methoxypropoxy) propanol	288.89
mesitylene	154.46
ε-caprolactone	540.21
p-cymene	117.76
epichlorohydrin	1267.04
1,1,1-trichloroethane	1060.06
2-aminoethanol	465.47
morpholine-4-carbaldehyde	593.57
sulfolane	332.24
2,2,4-trimethylpentane	48.05
2-methyltetrahydrofuran	947.48
n-hexyl acetate	213.0
isooctane	41.32
2-(2-butoxyethoxy)ethanol	455.7
sec-butyl acetate	328.77
tert-butyl acetate	496.09
decalin	71.65
glycerin	362.29
diglyme	919.45
acrylic acid	311.98
isopropyl myristate	101.33
n-butyric acid	677.4
acetyl acetate	631.65
di(2-ethylhexyl) phthalate	92.85
ethyl propionate	471.74
nitromethane	682.35
1,2-diethoxyethane	1008.66
benzonitrile	315.88
trioctyl phosphate	58.55
1-bromopropane	1012.13
gamma-valerolactone	726.67
n-decanol	78.91
triethyl phosphate	153.07
4-methyl-2-pentanol	208.4
propionitrile	668.6
vinylene carbonate	328.87
1,1,2-trichlorotrifluoroethane	708.56
DMS	292.5
cumene	129.18
2-octanol	73.39
2-hexanone	331.37
octyl acetate	116.9
limonene	178.04
1,2-dimethoxyethane	1060.08
ethyl orthosilicate	171.37
tributyl phosphate	84.02
diacetone alcohol	402.88
N,N-dimethylaniline	237.21
acrylonitrile	607.74
aniline	567.38
1,3-propanediol	613.25
bromobenzene	527.63
dibromomethane	1493.42
1,1,2,2-tetrachloroethane	1600.61
2-methyl-cyclohexyl acetate	232.2
tetrabutyl urea	91.99
diisobutyl methanol	164.11
2-phenylethanol	341.69
styrene	341.62
dioctyl adipate	144.83
dimethyl sulfate	196.98
ethyl butyrate	431.35
methyl lactate	233.01
butyl lactate	127.76
diethyl carbonate	297.96
propanediol butyl ether	213.98
triethyl orthoformate	288.04
p-tert-butyltoluene	116.14
methyl 4-tert-butylbenzoate	195.18
morpholine	2622.72
tert-butylamine	548.48
n-dodecanol	66.9
dimethoxymethane	661.59
ethylene carbonate	324.49
cyrene	195.07
2-ethoxyethyl acetate	409.01
2-ethylhexyl acetate	336.8
1,2,4-trichlorobenzene	411.68
4-methylpyridine	820.95
dibutyl ether	256.37
2,6-dimethyl-4-heptanol	164.11
DEF	548.59
dimethyl isosorbide	419.2
tetrachloroethylene	986.01
eugenol	198.5
triacetin	281.11
span 80	215.01
1,4-butanediol	213.32
1,1-dichloroethane	1285.46
2-methyl-1-pentanol	367.97
methyl formate	177.48
2-methyl-1-butanol	503.52
n-decane	26.9
butyronitrile	654.27
3,7-dimethyl-1-octanol	137.03
1-chlorooctane	106.23
1-chlorotetradecane	45.44
n-nonane	27.34
undecane	19.51
tert-butylcyclohexane	65.02
cyclooctane	63.79
cyclopentanol	256.48
tetrahydropyran	1859.27
tert-amyl methyl ether	546.13
2,5,8-trioxanonane	563.77
1-hexene	381.1
2-isopropoxyethanol	600.96
2,2,2-trifluoroethanol	136.37
methyl butyrate	494.06

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