Molecular formula
C14H18O

SMILES
CCC(=CC1=CC=C(C=C1)C(C)C)C=O

Fragrance
Herbal	66.36%
Green	65.72%
Spicy	57.17%
Floral	40.18%
Woody	36.25%
Aldehydic	33.4%
Fresh	32.51%
Oily	30.36%
Leafy	29.94%
Cortex	29.26%

 

Flavor
Herbal	56.03%
Green	53.51%
Spicy	45.88%
Floral	41.05%
Fresh	37.6%
Woody	31.17%
Spice	29.63%
Oily	29.1%
Citrus	24.5%
Jasmin	24.39%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
8.32 (weak base)

Molecular weight
202.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
290°C

Flash point

• 131.51 ˚C est.

• AKOS017547946

2-[(4-Propan-2-ylphenyl)methylidene]butanal is used primarily as a fragrance ingredient and synthesis intermediate in perfumery, contributing woody and spicy notes and serving as a building block for aroma compounds; in cosmetics and personal care, it may be formulated as a fragrance component in lotions, creams, and other body care products; in household cleaning products, it can function as an odorant additive to impart a characteristic scent; in industrial manufacturing, it acts as an intermediate for synthesizing other aromatic aldehydes and related fine chemicals; in coatings and inks, it can be employed as an odorant additive or reactive intermediate influencing scent and formulation properties.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1086.06
methanol	667.5
isopropanol	704.39
water	0.09
ethyl acetate	2193.65
n-propanol	885.28
acetone	1831.64
n-butanol	762.94
acetonitrile	1192.19
DMF	1888.57
toluene	782.09
isobutanol	529.87
1,4-dioxane	1933.38
methyl acetate	1555.14
THF	1496.82
2-butanone	1810.09
n-pentanol	466.5
sec-butanol	540.92
n-hexane	124.56
ethylene glycol	52.77
NMP	774.58
cyclohexane	122.25
DMSO	677.18
n-butyl acetate	1171.23
n-octanol	133.12
chloroform	2594.97
n-propyl acetate	919.95
acetic acid	374.71
dichloromethane	3021.16
cyclohexanone	1679.67
propylene glycol	126.18
isopropyl acetate	1072.16
DMAc	1212.85
2-ethoxyethanol	622.06
isopentanol	587.75
n-heptane	47.64
ethyl formate	581.67
1,2-dichloroethane	2524.17
n-hexanol	597.94
2-methoxyethanol	1034.15
isobutyl acetate	527.1
tetrachloromethane	244.95
n-pentyl acetate	394.5
transcutol	2465.84
n-heptanol	163.0
ethylbenzene	350.64
MIBK	682.1
2-propoxyethanol	914.53
tert-butanol	792.92
MTBE	1348.57
2-butoxyethanol	333.27
propionic acid	421.97
o-xylene	317.98
formic acid	62.23
diethyl ether	2231.25
m-xylene	437.19
p-xylene	358.64
chlorobenzene	818.23
dimethyl carbonate	343.55
n-octane	25.32
formamide	199.12
cyclopentanone	1481.1
2-pentanone	1572.64
anisole	713.29
cyclopentyl methyl ether	888.59
gamma-butyrolactone	1215.78
1-methoxy-2-propanol	805.75
pyridine	1643.73
3-pentanone	1185.77
furfural	871.75
n-dodecane	16.93
diethylene glycol	373.89
diisopropyl ether	413.45
tert-amyl alcohol	549.39
acetylacetone	1107.89
n-hexadecane	20.46
acetophenone	533.86
methyl propionate	1330.7
isopentyl acetate	930.85
trichloroethylene	3415.85
n-nonanol	133.63
cyclohexanol	514.59
benzyl alcohol	434.57
2-ethylhexanol	310.39
isooctanol	146.49
dipropyl ether	598.93
1,2-dichlorobenzene	626.14
ethyl lactate	210.4
propylene carbonate	621.69
n-methylformamide	660.17
2-pentanol	518.45
n-pentane	84.59
1-propoxy-2-propanol	676.51
1-methoxy-2-propyl acetate	894.83
2-(2-methoxypropoxy) propanol	348.83
mesitylene	224.64
ε-caprolactone	1164.55
p-cymene	143.58
epichlorohydrin	2125.89
1,1,1-trichloroethane	1583.64
2-aminoethanol	206.76
morpholine-4-carbaldehyde	1056.12
sulfolane	907.47
2,2,4-trimethylpentane	38.65
2-methyltetrahydrofuran	1329.76
n-hexyl acetate	462.42
isooctane	39.94
2-(2-butoxyethoxy)ethanol	507.5
sec-butyl acetate	620.46
tert-butyl acetate	871.37
decalin	73.4
glycerin	131.08
diglyme	1102.74
acrylic acid	266.56
isopropyl myristate	188.68
n-butyric acid	848.03
acetyl acetate	674.35
di(2-ethylhexyl) phthalate	135.29
ethyl propionate	786.52
nitromethane	970.36
1,2-diethoxyethane	1268.07
benzonitrile	545.97
trioctyl phosphate	92.03
1-bromopropane	1460.39
gamma-valerolactone	1644.21
n-decanol	103.24
triethyl phosphate	193.15
4-methyl-2-pentanol	269.04
propionitrile	962.71
vinylene carbonate	562.71
1,1,2-trichlorotrifluoroethane	711.97
DMS	470.2
cumene	192.87
2-octanol	116.57
2-hexanone	850.03
octyl acetate	217.33
limonene	220.39
1,2-dimethoxyethane	1324.87
ethyl orthosilicate	199.89
tributyl phosphate	139.45
diacetone alcohol	669.49
N,N-dimethylaniline	350.24
acrylonitrile	999.61
aniline	686.93
1,3-propanediol	388.53
bromobenzene	908.61
dibromomethane	1955.27
1,1,2,2-tetrachloroethane	2284.74
2-methyl-cyclohexyl acetate	358.14
tetrabutyl urea	170.83
diisobutyl methanol	173.87
2-phenylethanol	418.52
styrene	484.86
dioctyl adipate	244.21
dimethyl sulfate	352.12
ethyl butyrate	660.56
methyl lactate	246.17
butyl lactate	235.76
diethyl carbonate	369.92
propanediol butyl ether	242.82
triethyl orthoformate	346.66
p-tert-butyltoluene	142.94
methyl 4-tert-butylbenzoate	300.36
morpholine	2337.8
tert-butylamine	503.24
n-dodecanol	80.46
dimethoxymethane	1350.38
ethylene carbonate	501.53
cyrene	264.21
2-ethoxyethyl acetate	662.38
2-ethylhexyl acetate	700.81
1,2,4-trichlorobenzene	666.07
4-methylpyridine	1630.08
dibutyl ether	408.66
2,6-dimethyl-4-heptanol	173.87
DEF	1624.44
dimethyl isosorbide	603.78
tetrachloroethylene	1226.34
eugenol	293.31
triacetin	360.75
span 80	242.1
1,4-butanediol	135.08
1,1-dichloroethane	2248.57
2-methyl-1-pentanol	406.68
methyl formate	406.06
2-methyl-1-butanol	523.83
n-decane	29.63
butyronitrile	975.74
3,7-dimethyl-1-octanol	191.51
1-chlorooctane	165.42
1-chlorotetradecane	63.01
n-nonane	29.37
undecane	21.63
tert-butylcyclohexane	71.18
cyclooctane	39.93
cyclopentanol	358.12
tetrahydropyran	2076.67
tert-amyl methyl ether	705.74
2,5,8-trioxanonane	632.3
1-hexene	575.14
2-isopropoxyethanol	459.85
2,2,2-trifluoroethanol	103.37
methyl butyrate	1000.76

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