Molecular formula
C13H18O2

SMILES
CCC(C)(C)C1=CC=C(C=C1)OCC=O

Fragrance
Floral	54.93%
Woody	45.48%
Green	39.61%
Fresh	37.72%
Spicy	33.89%
Sweet	33.72%
Dry	33.51%
Herbal	32.44%
Powdery	29.98%
Ozone	29.67%

 

Flavor
Green	51.61%
Herbal	47.08%
Woody	45.48%
Spicy	37.19%
Floral	34.24%
Bitter	32.89%
Sweet	31.43%
Musty	29.17%
Balsam	28.42%
Fresh	27.99%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.34 (neutral)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
303°C

Flash point

• 128.09 ˚C est.

• SCHEMBL10625431
• AKOS011011418

2-[4-(2-Methylbutan-2-yl)phenoxy]acetaldehyde serves as a fragrance intermediate and odorant in the perfumery industry, used to build complex aroma compounds; it is also employed as a fragrance ingredient in cosmetics and personal care products, contributing to the scent profile of perfumes, lotions, and cleansers; in household and cleaning products it may appear as an additional fragrance component; in industrial manufacturing, it functions as a chemical intermediate for specialty compounds related to fragrance chemistry and related polymers; in the polymers/plastics sector, it can be used as a precursor or functional additive to modify polymer properties and scent integration.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1584.45
methanol	1459.26
isopropanol	706.71
water	1.05
ethyl acetate	2955.89
n-propanol	1130.14
acetone	2047.27
n-butanol	813.36
acetonitrile	1496.96
DMF	2441.77
toluene	420.49
isobutanol	554.35
1,4-dioxane	1895.15
methyl acetate	1966.54
THF	2376.05
2-butanone	1662.67
n-pentanol	371.76
sec-butanol	492.69
n-hexane	32.27
ethylene glycol	296.25
NMP	1078.6
cyclohexane	60.05
DMSO	2038.43
n-butyl acetate	835.98
n-octanol	76.87
chloroform	2966.77
n-propyl acetate	765.15
acetic acid	795.92
dichloromethane	3551.22
cyclohexanone	1361.09
propylene glycol	354.47
isopropyl acetate	1288.07
DMAc	1492.81
2-ethoxyethanol	1154.0
isopentanol	576.19
n-heptane	16.53
ethyl formate	818.78
1,2-dichloroethane	3231.02
n-hexanol	375.36
2-methoxyethanol	2315.89
isobutyl acetate	417.28
tetrachloromethane	299.97
n-pentyl acetate	233.51
transcutol	3742.95
n-heptanol	87.35
ethylbenzene	182.9
MIBK	660.95
2-propoxyethanol	1130.16
tert-butanol	935.25
MTBE	1327.18
2-butoxyethanol	295.83
propionic acid	779.8
o-xylene	220.32
formic acid	411.23
diethyl ether	2236.68
m-xylene	270.73
p-xylene	207.23
chlorobenzene	813.55
dimethyl carbonate	825.85
n-octane	7.2
formamide	1186.87
cyclopentanone	1878.07
2-pentanone	1403.0
anisole	656.24
cyclopentyl methyl ether	1146.48
gamma-butyrolactone	2143.56
1-methoxy-2-propanol	1468.03
pyridine	1255.14
3-pentanone	1143.95
furfural	1330.1
n-dodecane	6.14
diethylene glycol	949.6
diisopropyl ether	390.17
tert-amyl alcohol	609.37
acetylacetone	1743.27
n-hexadecane	7.41
acetophenone	483.24
methyl propionate	2109.39
isopentyl acetate	687.39
trichloroethylene	4311.71
n-nonanol	73.7
cyclohexanol	442.12
benzyl alcohol	382.7
2-ethylhexanol	175.51
isooctanol	80.34
dipropyl ether	359.43
1,2-dichlorobenzene	682.41
ethyl lactate	295.5
propylene carbonate	926.15
n-methylformamide	1566.62
2-pentanol	430.1
n-pentane	32.37
1-propoxy-2-propanol	604.52
1-methoxy-2-propyl acetate	1217.87
2-(2-methoxypropoxy) propanol	448.3
mesitylene	157.33
ε-caprolactone	1177.51
p-cymene	103.08
epichlorohydrin	3419.07
1,1,1-trichloroethane	1864.03
2-aminoethanol	642.07
morpholine-4-carbaldehyde	1510.54
sulfolane	1852.44
2,2,4-trimethylpentane	25.32
2-methyltetrahydrofuran	1566.29
n-hexyl acetate	321.18
isooctane	24.69
2-(2-butoxyethoxy)ethanol	642.71
sec-butyl acetate	545.9
tert-butyl acetate	1300.79
decalin	36.57
glycerin	486.38
diglyme	1342.08
acrylic acid	608.36
isopropyl myristate	136.9
n-butyric acid	1065.05
acetyl acetate	1214.84
di(2-ethylhexyl) phthalate	119.77
ethyl propionate	848.99
nitromethane	2478.01
1,2-diethoxyethane	1154.19
benzonitrile	448.24
trioctyl phosphate	79.26
1-bromopropane	1195.98
gamma-valerolactone	2075.51
n-decanol	56.63
triethyl phosphate	220.89
4-methyl-2-pentanol	231.84
propionitrile	1096.26
vinylene carbonate	840.64
1,1,2-trichlorotrifluoroethane	1376.55
DMS	658.53
cumene	112.48
2-octanol	54.94
2-hexanone	519.07
octyl acetate	152.4
limonene	155.54
1,2-dimethoxyethane	1385.31
ethyl orthosilicate	219.64
tributyl phosphate	142.13
diacetone alcohol	1027.63
N,N-dimethylaniline	316.39
acrylonitrile	1262.27
aniline	653.35
1,3-propanediol	883.54
bromobenzene	869.01
dibromomethane	1932.2
1,1,2,2-tetrachloroethane	3148.56
2-methyl-cyclohexyl acetate	331.07
tetrabutyl urea	150.31
diisobutyl methanol	123.89
2-phenylethanol	361.9
styrene	262.89
dioctyl adipate	227.33
dimethyl sulfate	1014.4
ethyl butyrate	547.24
methyl lactate	553.58
butyl lactate	196.31
diethyl carbonate	392.56
propanediol butyl ether	251.43
triethyl orthoformate	332.83
p-tert-butyltoluene	111.19
methyl 4-tert-butylbenzoate	293.95
morpholine	2502.91
tert-butylamine	519.87
n-dodecanol	45.02
dimethoxymethane	2235.87
ethylene carbonate	793.26
cyrene	360.06
2-ethoxyethyl acetate	637.0
2-ethylhexyl acetate	498.96
1,2,4-trichlorobenzene	821.31
4-methylpyridine	1143.2
dibutyl ether	210.49
2,6-dimethyl-4-heptanol	123.89
DEF	1448.37
dimethyl isosorbide	854.64
tetrachloroethylene	1642.05
eugenol	284.33
triacetin	433.38
span 80	259.75
1,4-butanediol	236.82
1,1-dichloroethane	2379.3
2-methyl-1-pentanol	313.13
methyl formate	996.52
2-methyl-1-butanol	478.95
n-decane	10.36
butyronitrile	844.21
3,7-dimethyl-1-octanol	126.93
1-chlorooctane	74.93
1-chlorotetradecane	30.19
n-nonane	9.53
undecane	7.76
tert-butylcyclohexane	34.63
cyclooctane	18.87
cyclopentanol	460.02
tetrahydropyran	1752.69
tert-amyl methyl ether	729.13
2,5,8-trioxanonane	849.49
1-hexene	179.48
2-isopropoxyethanol	644.78
2,2,2-trifluoroethanol	372.11
methyl butyrate	880.95

Scent© AI