Molecular formula
C13H18O

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

Fragrance
Green	95.32%
Floral	74.38%
Fresh	59.06%
Aldehydic	52.08%
Leafy	49.31%
Cortex	45.98%
Muguet	45.14%
Herbal	44.22%
Lily	41.89%
Woody	37.64%

 

Flavor
Green	74.52%
Fresh	53.64%
Herbal	50.68%
Floral	46.06%
Citrus	39.15%
Spicy	37.67%
Oily	32.78%
Woody	30.5%
Waxy	29.99%
Leaf	29.0%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
7.53 (neutral)

Molecular weight
190.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
258°C

Flash point

• 125.88 ˚C est.

• SCHEMBL1299325
• HQQPOVNESMNPNH-UHFFFAOYSA-N
• 3-p-isopropylphenyl-3-methylpropanal
• LS-14230
• NS00132709
• D91134

3-p-Isopropylphenyl-3-methylpropanal is an aromatic aldehyde with an isopropyl-substituted phenyl ring and a 3-methylpropanal side chain, commonly used as an odorant in fragrance and cosmetic formulations. It serves as a building block or intermediate in the synthesis of fragrance ingredients and aroma profiles. It is evaluated for use in cosmetics and personal care products to impart scent, and in household products such as air fresheners or cleaners as a fragrance component. In industrial manufacturing, it may be employed as an aroma chemical intermediate for the synthesis of more complex fragrance compounds. It can also be used as a fragrance additive in coatings, varnishes, or inks to impart a distinctive note, subject to regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	856.29
methanol	867.11
isopropanol	515.09
water	0.33
ethyl acetate	1495.49
n-propanol	718.06
acetone	1229.76
n-butanol	646.27
acetonitrile	1036.45
DMF	1195.31
toluene	539.09
isobutanol	383.81
1,4-dioxane	2370.27
methyl acetate	1019.9
THF	1560.54
2-butanone	1060.34
n-pentanol	359.98
sec-butanol	337.33
n-hexane	169.91
ethylene glycol	69.8
NMP	595.68
cyclohexane	219.54
DMSO	632.41
n-butyl acetate	851.3
n-octanol	75.33
chloroform	2206.05
n-propyl acetate	614.49
acetic acid	447.05
dichloromethane	2048.36
cyclohexanone	1304.03
propylene glycol	103.79
isopropyl acetate	794.4
DMAc	811.02
2-ethoxyethanol	567.94
isopentanol	506.44
n-heptane	47.13
ethyl formate	448.61
1,2-dichloroethane	2064.12
n-hexanol	494.34
2-methoxyethanol	989.61
isobutyl acetate	365.12
tetrachloromethane	293.66
n-pentyl acetate	239.1
transcutol	2035.6
n-heptanol	112.72
ethylbenzene	239.1
MIBK	459.43
2-propoxyethanol	866.84
tert-butanol	725.22
MTBE	1182.96
2-butoxyethanol	251.41
propionic acid	386.78
o-xylene	243.0
formic acid	115.95
diethyl ether	2337.72
m-xylene	288.25
p-xylene	267.17
chlorobenzene	675.05
dimethyl carbonate	254.71
n-octane	14.5
formamide	272.47
cyclopentanone	1088.79
2-pentanone	968.82
anisole	519.08
cyclopentyl methyl ether	800.36
gamma-butyrolactone	978.86
1-methoxy-2-propanol	651.04
pyridine	1280.18
3-pentanone	807.47
furfural	820.74
n-dodecane	8.56
diethylene glycol	425.87
diisopropyl ether	381.17
tert-amyl alcohol	390.73
acetylacetone	800.2
n-hexadecane	10.51
acetophenone	351.17
methyl propionate	858.84
isopentyl acetate	659.18
trichloroethylene	2501.14
n-nonanol	76.33
cyclohexanol	484.55
benzyl alcohol	301.81
2-ethylhexanol	244.69
isooctanol	95.76
dipropyl ether	586.49
1,2-dichlorobenzene	524.6
ethyl lactate	159.06
propylene carbonate	523.95
n-methylformamide	537.6
2-pentanol	365.09
n-pentane	111.96
1-propoxy-2-propanol	520.33
1-methoxy-2-propyl acetate	749.39
2-(2-methoxypropoxy) propanol	275.93
mesitylene	179.07
ε-caprolactone	958.03
p-cymene	109.77
epichlorohydrin	1671.67
1,1,1-trichloroethane	1292.05
2-aminoethanol	224.99
morpholine-4-carbaldehyde	1032.48
sulfolane	824.85
2,2,4-trimethylpentane	39.4
2-methyltetrahydrofuran	1193.76
n-hexyl acetate	279.6
isooctane	34.85
2-(2-butoxyethoxy)ethanol	389.68
sec-butyl acetate	413.23
tert-butyl acetate	726.99
decalin	75.92
glycerin	138.3
diglyme	942.67
acrylic acid	257.8
isopropyl myristate	115.41
n-butyric acid	736.27
acetyl acetate	572.49
di(2-ethylhexyl) phthalate	102.11
ethyl propionate	559.99
nitromethane	878.67
1,2-diethoxyethane	1007.51
benzonitrile	394.9
trioctyl phosphate	66.11
1-bromopropane	1098.26
gamma-valerolactone	1535.65
n-decanol	57.75
triethyl phosphate	174.1
4-methyl-2-pentanol	203.32
propionitrile	765.02
vinylene carbonate	504.98
1,1,2-trichlorotrifluoroethane	664.77
DMS	349.51
cumene	138.89
2-octanol	64.44
2-hexanone	585.32
octyl acetate	126.73
limonene	175.68
1,2-dimethoxyethane	1387.11
ethyl orthosilicate	187.59
tributyl phosphate	108.02
diacetone alcohol	481.45
N,N-dimethylaniline	275.63
acrylonitrile	746.66
aniline	563.08
1,3-propanediol	417.13
bromobenzene	715.43
dibromomethane	1417.92
1,1,2,2-tetrachloroethane	1957.1
2-methyl-cyclohexyl acetate	297.61
tetrabutyl urea	116.53
diisobutyl methanol	136.95
2-phenylethanol	351.35
styrene	338.23
dioctyl adipate	172.67
dimethyl sulfate	281.13
ethyl butyrate	525.64
methyl lactate	188.43
butyl lactate	160.37
diethyl carbonate	300.34
propanediol butyl ether	155.74
triethyl orthoformate	324.63
p-tert-butyltoluene	112.06
methyl 4-tert-butylbenzoate	209.17
morpholine	2494.8
tert-butylamine	518.11
n-dodecanol	45.08
dimethoxymethane	1043.08
ethylene carbonate	493.86
cyrene	223.51
2-ethoxyethyl acetate	448.24
2-ethylhexyl acetate	510.3
1,2,4-trichlorobenzene	563.36
4-methylpyridine	1124.15
dibutyl ether	260.54
2,6-dimethyl-4-heptanol	136.95
DEF	1072.55
dimethyl isosorbide	537.46
tetrachloroethylene	1254.27
eugenol	208.43
triacetin	259.37
span 80	200.91
1,4-butanediol	119.04
1,1-dichloroethane	1628.28
2-methyl-1-pentanol	304.3
methyl formate	332.35
2-methyl-1-butanol	404.3
n-decane	15.88
butyronitrile	735.45
3,7-dimethyl-1-octanol	117.42
1-chlorooctane	88.03
1-chlorotetradecane	33.37
n-nonane	15.33
undecane	11.21
tert-butylcyclohexane	66.45
cyclooctane	53.72
cyclopentanol	330.85
tetrahydropyran	2178.24
tert-amyl methyl ether	587.64
2,5,8-trioxanonane	518.93
1-hexene	542.94
2-isopropoxyethanol	376.63
2,2,2-trifluoroethanol	136.22
methyl butyrate	695.81

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