Molecular formula
C11H19N

SMILES
CC(CC=CC#N)CC(C)(C)C

Fragrance
Citrus	60.22%
Green	55.04%
Floral	46.08%
Aldehydic	44.97%
Lemon	37.26%
Fresh	36.44%
Spicy	34.57%
Woody	34.26%
Fatty	30.86%
Metallic	30.62%

 

Flavor
Woody	23.65%
Oriental	21.32%
Herbal	20.94%
Diterpene	20.44%
Nitrile	20.19%
Low	20.11%
Delicate	19.95%
Yeasty	19.41%
Mouldy	19.41%
Sandalwood	19.37%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
7.55 (neutral)

Molecular weight
165.27 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
221°C

Flash point

• 95.63 ˚C est.

• SCHEMBL10544778

5,7,7-Trimethyloct-2-enenitrile is typically used as an intermediate in the synthesis of specialty chemicals. In industrial practice, it serves as a building block for polymer and plastics formulations, enabling downstream monomer or oligomer production. It is commonly evaluated as a fragrance/intermediate in perfumery and flavor applications, and can function as a solvent or co-solvent in coatings, inks, and cleaning formulations. It may also be employed as an adhesive additive or reactive diluent in adhesive systems, and can participate in organic synthesis routes for niche applications under appropriate handling and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	466.36
methanol	473.6
isopropanol	360.87
water	0.56
ethyl acetate	704.6
n-propanol	405.66
acetone	816.03
n-butanol	423.11
acetonitrile	402.69
DMF	793.83
toluene	443.39
isobutanol	334.67
1,4-dioxane	815.27
methyl acetate	591.3
THF	1755.83
2-butanone	676.61
n-pentanol	266.66
sec-butanol	333.13
n-hexane	308.69
ethylene glycol	103.69
NMP	1109.12
cyclohexane	498.45
DMSO	643.03
n-butyl acetate	1029.08
n-octanol	349.35
chloroform	1173.4
n-propyl acetate	448.46
acetic acid	504.05
dichloromethane	830.99
cyclohexanone	1207.67
propylene glycol	195.28
isopropyl acetate	585.14
DMAc	726.38
2-ethoxyethanol	293.48
isopentanol	374.94
n-heptane	342.15
ethyl formate	367.02
1,2-dichloroethane	664.38
n-hexanol	865.72
2-methoxyethanol	495.72
isobutyl acetate	394.73
tetrachloromethane	306.67
n-pentyl acetate	447.96
transcutol	1333.57
n-heptanol	337.92
ethylbenzene	222.1
MIBK	518.59
2-propoxyethanol	842.4
tert-butanol	545.88
MTBE	746.29
2-butoxyethanol	426.56
propionic acid	452.55
o-xylene	294.95
formic acid	137.72
diethyl ether	688.78
m-xylene	363.65
p-xylene	304.04
chlorobenzene	532.83
dimethyl carbonate	290.5
n-octane	109.29
formamide	132.91
cyclopentanone	1333.46
2-pentanone	716.05
anisole	366.42
cyclopentyl methyl ether	1072.62
gamma-butyrolactone	1274.22
1-methoxy-2-propanol	507.95
pyridine	604.11
3-pentanone	583.1
furfural	797.2
n-dodecane	72.98
diethylene glycol	417.1
diisopropyl ether	376.99
tert-amyl alcohol	442.23
acetylacetone	808.71
n-hexadecane	83.09
acetophenone	343.5
methyl propionate	563.0
isopentyl acetate	890.43
trichloroethylene	1151.06
n-nonanol	293.99
cyclohexanol	596.95
benzyl alcohol	222.47
2-ethylhexanol	572.32
isooctanol	272.84
dipropyl ether	736.84
1,2-dichlorobenzene	465.85
ethyl lactate	228.51
propylene carbonate	806.96
n-methylformamide	351.62
2-pentanol	344.17
n-pentane	229.26
1-propoxy-2-propanol	759.55
1-methoxy-2-propyl acetate	798.37
2-(2-methoxypropoxy) propanol	425.64
mesitylene	289.83
ε-caprolactone	917.92
p-cymene	279.3
epichlorohydrin	985.33
1,1,1-trichloroethane	927.73
2-aminoethanol	201.07
morpholine-4-carbaldehyde	845.93
sulfolane	1467.42
2,2,4-trimethylpentane	119.6
2-methyltetrahydrofuran	1222.7
n-hexyl acetate	709.7
isooctane	123.21
2-(2-butoxyethoxy)ethanol	553.35
sec-butyl acetate	371.29
tert-butyl acetate	758.53
decalin	188.04
glycerin	222.15
diglyme	936.42
acrylic acid	380.5
isopropyl myristate	321.69
n-butyric acid	643.22
acetyl acetate	558.61
di(2-ethylhexyl) phthalate	254.59
ethyl propionate	408.08
nitromethane	674.74
1,2-diethoxyethane	631.78
benzonitrile	387.04
trioctyl phosphate	220.86
1-bromopropane	594.4
gamma-valerolactone	1236.08
n-decanol	227.25
triethyl phosphate	275.56
4-methyl-2-pentanol	254.01
propionitrile	404.17
vinylene carbonate	599.34
1,1,2-trichlorotrifluoroethane	719.42
DMS	507.38
cumene	177.19
2-octanol	230.63
2-hexanone	481.94
octyl acetate	378.85
limonene	516.03
1,2-dimethoxyethane	575.25
ethyl orthosilicate	284.18
tributyl phosphate	278.91
diacetone alcohol	591.65
N,N-dimethylaniline	278.27
acrylonitrile	389.61
aniline	369.82
1,3-propanediol	257.96
bromobenzene	573.8
dibromomethane	690.0
1,1,2,2-tetrachloroethane	995.28
2-methyl-cyclohexyl acetate	545.09
tetrabutyl urea	325.57
diisobutyl methanol	331.18
2-phenylethanol	423.13
styrene	249.49
dioctyl adipate	400.02
dimethyl sulfate	449.29
ethyl butyrate	594.25
methyl lactate	300.49
butyl lactate	360.83
diethyl carbonate	370.96
propanediol butyl ether	423.02
triethyl orthoformate	449.62
p-tert-butyltoluene	303.62
methyl 4-tert-butylbenzoate	454.95
morpholine	867.12
tert-butylamine	436.76
n-dodecanol	186.31
dimethoxymethane	597.3
ethylene carbonate	576.49
cyrene	371.19
2-ethoxyethyl acetate	517.66
2-ethylhexyl acetate	792.16
1,2,4-trichlorobenzene	545.59
4-methylpyridine	665.12
dibutyl ether	513.24
2,6-dimethyl-4-heptanol	331.18
DEF	606.7
dimethyl isosorbide	796.65
tetrachloroethylene	627.88
eugenol	352.8
triacetin	594.9
span 80	464.63
1,4-butanediol	127.76
1,1-dichloroethane	771.16
2-methyl-1-pentanol	253.31
methyl formate	321.17
2-methyl-1-butanol	341.81
n-decane	126.04
butyronitrile	477.53
3,7-dimethyl-1-octanol	369.91
1-chlorooctane	357.02
1-chlorotetradecane	157.45
n-nonane	138.02
undecane	92.28
tert-butylcyclohexane	177.22
cyclooctane	229.18
cyclopentanol	555.39
tetrahydropyran	1164.56
tert-amyl methyl ether	558.52
2,5,8-trioxanonane	623.37
1-hexene	459.54
2-isopropoxyethanol	278.67
2,2,2-trifluoroethanol	188.2
methyl butyrate	492.49

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