Molecular formula
C14H20O

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

Fragrance
Green	90.41%
Fatty	57.81%
Fresh	40.71%
Leafy	37.9%
Muguet	37.84%
Herbal	33.8%
Floral	31.65%
Vegetable	30.29%
Spicy	30.04%
Cortex	29.73%

 

Flavor
Green	64.82%
Floral	53.34%
Fresh	44.82%
Bitter	43.58%
Sweet	41.69%
Rose	40.82%
Spicy	35.97%
Herbal	35.12%
Balsam	34.31%
Waxy	29.18%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
7.52 (neutral)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
261°C

Flash point

• 121.12 ˚C est.

• SCHEMBL1781458
• ASOSBHSBCNTOPO-UHFFFAOYSA-N
• 4-Isobutyl 1-(3-methoxy-2-propen-1-yl)benzene

4-Isobutyl 1-(3-methoxy-2-propen-1-yl)benzene is typically used as an aroma chemical and fragrance intermediate in perfumery; it can serve as a building block for new fragrance molecules in industrial fragrance chemistry; in cosmetics and personal care formulations it may function as a fragrance component; in household cleaning products it provides odor profiles as a fragrance ingredient; in coatings, inks, and adhesives it may be employed to impart scent in scented products; and it can act as an intermediate in the synthesis of other fragrance-related compounds in industrial manufacturing, with use subject to regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2235.6
methanol	1288.74
isopropanol	1476.96
water	0.09
ethyl acetate	3163.93
n-propanol	1770.11
acetone	1956.74
n-butanol	1820.39
acetonitrile	1328.83
DMF	759.91
toluene	1015.09
isobutanol	1114.09
1,4-dioxane	3790.44
methyl acetate	1741.06
THF	2836.21
2-butanone	1717.0
n-pentanol	1044.37
sec-butanol	1243.87
n-hexane	386.44
ethylene glycol	191.34
NMP	388.14
cyclohexane	567.63
DMSO	928.96
n-butyl acetate	1415.09
n-octanol	220.11
chloroform	3660.6
n-propyl acetate	1034.99
acetic acid	731.59
dichloromethane	3555.58
cyclohexanone	1434.74
propylene glycol	454.5
isopropyl acetate	1411.01
DMAc	642.26
2-ethoxyethanol	1576.27
isopentanol	1359.24
n-heptane	191.72
ethyl formate	783.49
1,2-dichloroethane	2838.94
n-hexanol	1390.97
2-methoxyethanol	2135.58
isobutyl acetate	617.92
tetrachloromethane	499.96
n-pentyl acetate	421.99
transcutol	3882.61
n-heptanol	283.63
ethylbenzene	381.16
MIBK	847.52
2-propoxyethanol	1904.92
tert-butanol	1649.48
MTBE	2422.3
2-butoxyethanol	571.41
propionic acid	640.95
o-xylene	388.17
formic acid	119.96
diethyl ether	4364.9
m-xylene	515.76
p-xylene	360.31
chlorobenzene	847.12
dimethyl carbonate	359.87
n-octane	55.2
formamide	207.28
cyclopentanone	1099.27
2-pentanone	1736.22
anisole	735.93
cyclopentyl methyl ether	1581.04
gamma-butyrolactone	989.96
1-methoxy-2-propanol	1533.94
pyridine	1591.46
3-pentanone	1119.59
furfural	855.93
n-dodecane	33.8
diethylene glycol	951.97
diisopropyl ether	819.41
tert-amyl alcohol	1153.04
acetylacetone	1242.34
n-hexadecane	39.88
acetophenone	459.4
methyl propionate	1431.06
isopentyl acetate	1109.87
trichloroethylene	3537.22
n-nonanol	205.35
cyclohexanol	1107.4
benzyl alcohol	542.87
2-ethylhexanol	617.01
isooctanol	230.17
dipropyl ether	1309.87
1,2-dichlorobenzene	597.43
ethyl lactate	310.29
propylene carbonate	654.08
n-methylformamide	419.6
2-pentanol	1228.34
n-pentane	387.78
1-propoxy-2-propanol	1232.24
1-methoxy-2-propyl acetate	1244.0
2-(2-methoxypropoxy) propanol	473.51
mesitylene	276.32
ε-caprolactone	1171.81
p-cymene	203.39
epichlorohydrin	2428.77
1,1,1-trichloroethane	2012.3
2-aminoethanol	549.63
morpholine-4-carbaldehyde	1079.26
sulfolane	787.01
2,2,4-trimethylpentane	110.37
2-methyltetrahydrofuran	2424.82
n-hexyl acetate	549.37
isooctane	112.11
2-(2-butoxyethoxy)ethanol	791.84
sec-butyl acetate	725.95
tert-butyl acetate	1226.15
decalin	162.38
glycerin	386.43
diglyme	1598.37
acrylic acid	359.04
isopropyl myristate	214.16
n-butyric acid	1352.28
acetyl acetate	970.17
di(2-ethylhexyl) phthalate	171.23
ethyl propionate	855.41
nitromethane	1021.66
1,2-diethoxyethane	1972.28
benzonitrile	536.4
trioctyl phosphate	122.07
1-bromopropane	2218.42
gamma-valerolactone	1526.02
n-decanol	158.24
triethyl phosphate	260.14
4-methyl-2-pentanol	540.37
propionitrile	1069.77
vinylene carbonate	541.32
1,1,2-trichlorotrifluoroethane	1122.58
DMS	474.42
cumene	216.19
2-octanol	155.94
2-hexanone	900.1
octyl acetate	243.78
limonene	346.29
1,2-dimethoxyethane	2073.93
ethyl orthosilicate	307.39
tributyl phosphate	177.26
diacetone alcohol	904.0
N,N-dimethylaniline	353.59
acrylonitrile	825.34
aniline	857.52
1,3-propanediol	908.16
bromobenzene	970.72
dibromomethane	2578.82
1,1,2,2-tetrachloroethane	2789.24
2-methyl-cyclohexyl acetate	468.42
tetrabutyl urea	192.96
diisobutyl methanol	319.55
2-phenylethanol	574.57
styrene	509.08
dioctyl adipate	284.57
dimethyl sulfate	303.32
ethyl butyrate	853.89
methyl lactate	335.79
butyl lactate	274.17
diethyl carbonate	496.2
propanediol butyl ether	399.62
triethyl orthoformate	540.4
p-tert-butyltoluene	204.55
methyl 4-tert-butylbenzoate	303.67
morpholine	4268.54
tert-butylamine	1147.27
n-dodecanol	129.21
dimethoxymethane	1527.17
ethylene carbonate	576.46
cyrene	331.87
2-ethoxyethyl acetate	805.17
2-ethylhexyl acetate	792.17
1,2,4-trichlorobenzene	702.76
4-methylpyridine	1482.77
dibutyl ether	611.64
2,6-dimethyl-4-heptanol	319.55
DEF	1168.23
dimethyl isosorbide	713.28
tetrachloroethylene	1619.63
eugenol	305.19
triacetin	467.7
span 80	370.65
1,4-butanediol	357.44
1,1-dichloroethane	2655.77
2-methyl-1-pentanol	842.96
methyl formate	335.62
2-methyl-1-butanol	1178.91
n-decane	62.9
butyronitrile	1394.3
3,7-dimethyl-1-octanol	287.71
1-chlorooctane	251.23
1-chlorotetradecane	91.61
n-nonane	68.78
undecane	43.86
tert-butylcyclohexane	149.18
cyclooctane	174.29
cyclopentanol	630.01
tetrahydropyran	3829.06
tert-amyl methyl ether	1278.64
2,5,8-trioxanonane	860.6
1-hexene	1141.4
2-isopropoxyethanol	1051.63
2,2,2-trifluoroethanol	157.06
methyl butyrate	998.71

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