Molecular formula
C8H16O2

SMILES
CC(C)CCOCCC=O

Fragrance
Green	86.85%
Fruity	79.55%
Ethereal	65.25%
Fermented	50.74%
Alcoholic	50.66%
Apple	49.01%
Pungent	46.4%
Cognac	44.51%
Cocoa	41.71%
Sweet	40.55%

 

Flavor
Green	53.8%
Fruity	49.22%
Ethereal	47.09%
Earthy	35.55%
Vegetable	32.58%
Tropical	30.56%
Fatty	29.01%
Sweet	28.51%
Tomato	28.43%
Fruit	27.08%

 

Odor impact est.
High

XLogP3-AA
1.2

pKa est.
7.17 (neutral)

Molecular weight
144.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
190°C

Flash point

• 59.62 ˚C est.

• SCHEMBL2558988
• AKOS012338464

3-(3-Methylbutoxy)propanal is primarily considered as an aroma compound and fragrance intermediate; in perfumery it can function as an odorant or building block for creating nuanced scent profiles, in flavor formulations it may be evaluated as a note-contributing ingredient where permitted, in cosmetics and personal care it can be used as a fragrance ingredient, in household products such as air fresheners and cleaners it serves as a fragrance additive, and in industrial manufacturing it is commonly used as an intermediate or precursor for related fragrance materials and specialty chemicals, with potential exploration as a component in coatings or inks where fragrance attributes are desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1119.82
methanol	1248.01
isopropanol	889.41
water	2.16
ethyl acetate	402.91
n-propanol	818.32
acetone	701.54
n-butanol	758.35
acetonitrile	447.45
DMF	514.75
toluene	133.73
isobutanol	572.9
1,4-dioxane	713.48
methyl acetate	407.09
THF	1095.43
2-butanone	480.29
n-pentanol	435.01
sec-butanol	658.89
n-hexane	115.14
ethylene glycol	246.24
NMP	467.32
cyclohexane	181.48
DMSO	736.5
n-butyl acetate	426.66
n-octanol	195.09
chloroform	1675.98
n-propyl acetate	287.7
acetic acid	1035.92
dichloromethane	1084.35
cyclohexanone	793.97
propylene glycol	483.76
isopropyl acetate	242.13
DMAc	375.09
2-ethoxyethanol	466.03
isopentanol	564.95
n-heptane	91.77
ethyl formate	302.04
1,2-dichloroethane	575.74
n-hexanol	595.95
2-methoxyethanol	859.46
isobutyl acetate	211.17
tetrachloromethane	268.12
n-pentyl acetate	196.67
transcutol	1375.17
n-heptanol	193.15
ethylbenzene	93.06
MIBK	217.98
2-propoxyethanol	631.19
tert-butanol	1012.13
MTBE	432.8
2-butoxyethanol	309.09
propionic acid	664.12
o-xylene	110.89
formic acid	271.41
diethyl ether	374.19
m-xylene	114.82
p-xylene	138.87
chlorobenzene	274.44
dimethyl carbonate	78.95
n-octane	25.69
formamide	218.85
cyclopentanone	706.46
2-pentanone	370.79
anisole	205.82
cyclopentyl methyl ether	450.78
gamma-butyrolactone	746.54
1-methoxy-2-propanol	636.74
pyridine	528.63
3-pentanone	240.27
furfural	656.05
n-dodecane	19.34
diethylene glycol	464.13
diisopropyl ether	105.71
tert-amyl alcohol	663.94
acetylacetone	341.33
n-hexadecane	21.51
acetophenone	209.13
methyl propionate	272.46
isopentyl acetate	366.31
trichloroethylene	1217.17
n-nonanol	165.11
cyclohexanol	697.82
benzyl alcohol	235.56
2-ethylhexanol	320.48
isooctanol	160.57
dipropyl ether	297.16
1,2-dichlorobenzene	260.31
ethyl lactate	170.42
propylene carbonate	460.22
n-methylformamide	324.69
2-pentanol	466.51
n-pentane	87.49
1-propoxy-2-propanol	523.15
1-methoxy-2-propyl acetate	323.93
2-(2-methoxypropoxy) propanol	309.1
mesitylene	85.81
ε-caprolactone	612.39
p-cymene	99.36
epichlorohydrin	720.13
1,1,1-trichloroethane	722.78
2-aminoethanol	505.6
morpholine-4-carbaldehyde	531.02
sulfolane	750.41
2,2,4-trimethylpentane	45.99
2-methyltetrahydrofuran	758.84
n-hexyl acetate	294.55
isooctane	36.53
2-(2-butoxyethoxy)ethanol	416.42
sec-butyl acetate	196.68
tert-butyl acetate	257.27
decalin	61.07
glycerin	478.12
diglyme	664.41
acrylic acid	518.88
isopropyl myristate	115.58
n-butyric acid	959.52
acetyl acetate	257.18
di(2-ethylhexyl) phthalate	124.28
ethyl propionate	211.96
nitromethane	766.14
1,2-diethoxyethane	356.71
benzonitrile	327.82
trioctyl phosphate	94.37
1-bromopropane	387.3
gamma-valerolactone	811.85
n-decanol	117.19
triethyl phosphate	129.62
4-methyl-2-pentanol	225.35
propionitrile	423.89
vinylene carbonate	408.56
1,1,2-trichlorotrifluoroethane	763.1
DMS	193.59
cumene	82.13
2-octanol	127.68
2-hexanone	316.54
octyl acetate	145.57
limonene	174.88
1,2-dimethoxyethane	636.65
ethyl orthosilicate	135.43
tributyl phosphate	122.24
diacetone alcohol	355.28
N,N-dimethylaniline	137.54
acrylonitrile	456.64
aniline	282.31
1,3-propanediol	644.75
bromobenzene	266.05
dibromomethane	769.64
1,1,2,2-tetrachloroethane	1055.03
2-methyl-cyclohexyl acetate	242.51
tetrabutyl urea	143.68
diisobutyl methanol	174.72
2-phenylethanol	251.26
styrene	116.99
dioctyl adipate	187.43
dimethyl sulfate	144.74
ethyl butyrate	281.99
methyl lactate	207.65
butyl lactate	215.49
diethyl carbonate	187.22
propanediol butyl ether	354.56
triethyl orthoformate	206.63
p-tert-butyltoluene	100.07
methyl 4-tert-butylbenzoate	211.43
morpholine	946.05
tert-butylamine	603.14
n-dodecanol	90.14
dimethoxymethane	245.39
ethylene carbonate	345.76
cyrene	241.45
2-ethoxyethyl acetate	224.74
2-ethylhexyl acetate	275.48
1,2,4-trichlorobenzene	320.2
4-methylpyridine	445.51
dibutyl ether	239.51
2,6-dimethyl-4-heptanol	174.72
DEF	341.91
dimethyl isosorbide	404.85
tetrachloroethylene	705.77
eugenol	217.92
triacetin	302.42
span 80	313.17
1,4-butanediol	238.66
1,1-dichloroethane	756.35
2-methyl-1-pentanol	340.7
methyl formate	216.94
2-methyl-1-butanol	496.32
n-decane	34.08
butyronitrile	500.77
3,7-dimethyl-1-octanol	209.85
1-chlorooctane	122.75
1-chlorotetradecane	46.86
n-nonane	35.63
undecane	24.29
tert-butylcyclohexane	59.56
cyclooctane	43.19
cyclopentanol	703.65
tetrahydropyran	858.43
tert-amyl methyl ether	287.35
2,5,8-trioxanonane	443.47
1-hexene	299.63
2-isopropoxyethanol	316.36
2,2,2-trifluoroethanol	262.31
methyl butyrate	339.42

Scent© AI