Molecular formula
C11H24O2

SMILES
CCCOC(CC(C)C)OCCC

Fragrance
Green	94.66%
Alcoholic	78.3%
Ethereal	76.38%
Fermented	72.0%
Cognac	67.33%
Cocoa	61.08%
Malty	60.21%
Fruity	49.16%
Apple	40.73%
Vegetable	30.8%

 

Flavor
Fruity	64.87%
Green	50.71%
Tropical	33.03%
Ethereal	31.71%
Pineapple	27.98%
Alcoholic	27.86%
Vegetable	27.75%
Sweet	27.1%
Fermented	27.04%
Wine	26.58%

 

Odor impact est.
High

XLogP3-AA
3.6

pKa est.
8.02 (weak base)

Molecular weight
188.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
192°C

Flash point

• 65.44 ˚C est.

• isovaleraldehyde dipropyl acetal
• SCHEMBL7055915
• SALIHKDQCDUOSH-UHFFFAOYSA-N
• 3-methylbutyraldehyde di-n-propyl acetal
• Q63399493

Isovaleraldehyde dipropyl acetal is primarily used as an aldehyde-protecting acetal in organic synthesis, enabling selective reactions by masking the reactive aldehyde functionality; it can also serve as a solvent or processing aid in coatings, inks, and adhesives due to its moderate polarity and volatility; it acts as an intermediate in fragrance and flavor chemistry and is employed as a building block in pharmaceutical and fine chemicals manufacturing; in polymers and plastics, it may serve as a precursor or component in specialty resin formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6736.45
methanol	5408.14
isopropanol	7599.02
water	2.99
ethyl acetate	5559.08
n-propanol	7004.03
acetone	6765.84
n-butanol	7387.07
acetonitrile	4587.6
DMF	4473.25
toluene	4120.39
isobutanol	6822.79
1,4-dioxane	8117.42
methyl acetate	3939.19
THF	10243.43
2-butanone	5299.24
n-pentanol	5632.93
sec-butanol	8330.21
n-hexane	7871.78
ethylene glycol	694.39
NMP	4611.36
cyclohexane	12347.7
DMSO	4108.56
n-butyl acetate	8370.93
n-octanol	4788.1
chloroform	22503.21
n-propyl acetate	4688.58
acetic acid	6504.21
dichloromethane	14316.04
cyclohexanone	11511.45
propylene glycol	1469.41
isopropyl acetate	4344.02
DMAc	3667.74
2-ethoxyethanol	3454.98
isopentanol	6920.63
n-heptane	6229.55
ethyl formate	3737.67
1,2-dichloroethane	8248.96
n-hexanol	8024.47
2-methoxyethanol	4584.98
isobutyl acetate	3458.01
tetrachloromethane	6208.07
n-pentyl acetate	5118.15
transcutol	7167.79
n-heptanol	3968.99
ethylbenzene	2972.82
MIBK	3384.26
2-propoxyethanol	4910.18
tert-butanol	9007.78
MTBE	8257.11
2-butoxyethanol	3778.92
propionic acid	4666.31
o-xylene	2666.75
formic acid	1151.01
diethyl ether	7251.97
m-xylene	2504.96
p-xylene	4750.07
chlorobenzene	5721.68
dimethyl carbonate	1073.32
n-octane	2084.62
formamide	1149.63
cyclopentanone	7350.34
2-pentanone	5295.31
anisole	3004.34
cyclopentyl methyl ether	6682.35
gamma-butyrolactone	6576.53
1-methoxy-2-propanol	3888.61
pyridine	7412.48
3-pentanone	3695.59
furfural	5256.69
n-dodecane	1118.25
diethylene glycol	2220.47
diisopropyl ether	3203.46
tert-amyl alcohol	8804.3
acetylacetone	3786.49
n-hexadecane	1262.85
acetophenone	2931.65
methyl propionate	2963.79
isopentyl acetate	6970.33
trichloroethylene	14566.35
n-nonanol	3943.71
cyclohexanol	10590.45
benzyl alcohol	2757.93
2-ethylhexanol	6286.61
isooctanol	3420.5
dipropyl ether	6564.65
1,2-dichlorobenzene	4731.38
ethyl lactate	1597.0
propylene carbonate	5033.69
n-methylformamide	2453.91
2-pentanol	6710.54
n-pentane	4905.87
1-propoxy-2-propanol	5173.31
1-methoxy-2-propyl acetate	3231.77
2-(2-methoxypropoxy) propanol	2210.73
mesitylene	1920.71
ε-caprolactone	8656.85
p-cymene	2515.6
epichlorohydrin	6871.09
1,1,1-trichloroethane	12355.89
2-aminoethanol	1776.69
morpholine-4-carbaldehyde	4223.19
sulfolane	6356.87
2,2,4-trimethylpentane	2003.65
2-methyltetrahydrofuran	10028.58
n-hexyl acetate	6918.64
isooctane	1413.09
2-(2-butoxyethoxy)ethanol	3159.38
sec-butyl acetate	3461.22
tert-butyl acetate	3907.19
decalin	3171.72
glycerin	1447.51
diglyme	5624.49
acrylic acid	3227.42
isopropyl myristate	2490.79
n-butyric acid	9053.98
acetyl acetate	3328.71
di(2-ethylhexyl) phthalate	1533.83
ethyl propionate	3489.75
nitromethane	5331.19
1,2-diethoxyethane	4594.48
benzonitrile	4832.7
trioctyl phosphate	1484.45
1-bromopropane	8871.93
gamma-valerolactone	7512.21
n-decanol	2652.82
triethyl phosphate	1802.49
4-methyl-2-pentanol	3298.45
propionitrile	5036.77
vinylene carbonate	4210.77
1,1,2-trichlorotrifluoroethane	5749.64
DMS	2364.31
cumene	2183.55
2-octanol	3695.22
2-hexanone	5236.8
octyl acetate	2968.27
limonene	4355.9
1,2-dimethoxyethane	7095.35
ethyl orthosilicate	2015.19
tributyl phosphate	1949.67
diacetone alcohol	3176.77
N,N-dimethylaniline	2405.66
acrylonitrile	4125.21
aniline	3672.85
1,3-propanediol	3227.57
bromobenzene	6559.5
dibromomethane	12987.98
1,1,2,2-tetrachloroethane	14961.42
2-methyl-cyclohexyl acetate	3610.66
tetrabutyl urea	2213.89
diisobutyl methanol	3321.11
2-phenylethanol	2994.97
styrene	3569.24
dioctyl adipate	2768.28
dimethyl sulfate	1419.54
ethyl butyrate	4773.17
methyl lactate	1385.47
butyl lactate	3045.57
diethyl carbonate	2905.83
propanediol butyl ether	3195.58
triethyl orthoformate	3656.36
p-tert-butyltoluene	2263.62
methyl 4-tert-butylbenzoate	2446.2
morpholine	8987.44
tert-butylamine	7690.76
n-dodecanol	2052.56
dimethoxymethane	2744.66
ethylene carbonate	4521.71
cyrene	1605.48
2-ethoxyethyl acetate	3369.54
2-ethylhexyl acetate	5884.5
1,2,4-trichlorobenzene	5009.42
4-methylpyridine	7854.73
dibutyl ether	6951.34
2,6-dimethyl-4-heptanol	3321.11
DEF	4834.13
dimethyl isosorbide	2992.37
tetrachloroethylene	10960.28
eugenol	2083.24
triacetin	3224.24
span 80	2985.41
1,4-butanediol	1678.78
1,1-dichloroethane	11351.29
2-methyl-1-pentanol	5314.17
methyl formate	1969.92
2-methyl-1-butanol	6774.21
n-decane	2195.66
butyronitrile	7609.6
3,7-dimethyl-1-octanol	4273.55
1-chlorooctane	4501.92
1-chlorotetradecane	1687.92
n-nonane	2648.53
undecane	1449.64
tert-butylcyclohexane	2825.06
cyclooctane	3603.71
cyclopentanol	7823.02
tetrahydropyran	13739.68
tert-amyl methyl ether	5576.81
2,5,8-trioxanonane	3077.4
1-hexene	9989.1
2-isopropoxyethanol	2922.91
2,2,2-trifluoroethanol	1625.96
methyl butyrate	5739.14

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