Molecular formula
C14H23N

SMILES
CC1=CCCC(C1CC(C)(C)C#N)(C)C

Fragrance
Woody	67.95%
Citrus	45.55%
Dry	45.37%
Spicy	45.05%
Herbal	43.8%
Amber	39.95%
Vetiver	35.28%
Pine	31.06%
Camphoreous	30.85%
Sweet	29.67%

 

Flavor
Woody	59.82%
Wood	32.1%
Camphor	30.99%
Pine	24.29%
Herbal	22.92%
Mild	21.41%
Spice	21.14%
Terpene	21.07%
Sandalwood	20.66%
Fir needle	20.06%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
8.71 (weak base)

Molecular weight
205.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
290°C

Flash point

• 115.52 ˚C est.

• SCHEMBL2424963

2,2-Dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propanenitrile is primarily evaluated as an intermediate in fragrance chemistry, where it serves as a building block for aroma compounds. It is also used as a specialty intermediate for polymers and resins, enabling nitrile-containing monomers or crosslinkable platforms. The compound may act as a precursor in pharmaceutical and agrochemical syntheses and is occasionally explored for coatings and inks formulations as a reactive nitrile-bearing component. In cosmetics and personal care, it may be considered for inclusion in fragrance formulations, subject to formulation and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	145.26
methanol	129.06
isopropanol	168.01
water	0.74
ethyl acetate	518.85
n-propanol	188.55
acetone	658.12
n-butanol	177.15
acetonitrile	403.72
DMF	881.28
toluene	459.46
isobutanol	185.81
1,4-dioxane	560.18
methyl acetate	560.5
THF	1096.75
2-butanone	703.71
n-pentanol	133.0
sec-butanol	192.9
n-hexane	56.08
ethylene glycol	59.61
NMP	1009.07
cyclohexane	106.36
DMSO	536.21
n-butyl acetate	527.92
n-octanol	222.37
chloroform	1328.57
n-propyl acetate	353.37
acetic acid	194.41
dichloromethane	1056.3
cyclohexanone	1020.21
propylene glycol	109.55
isopropyl acetate	418.44
DMAc	775.7
2-ethoxyethanol	173.03
isopentanol	188.46
n-heptane	67.55
ethyl formate	363.23
1,2-dichloroethane	679.56
n-hexanol	289.5
2-methoxyethanol	275.72
isobutyl acetate	292.95
tetrachloromethane	248.9
n-pentyl acetate	361.24
transcutol	627.11
n-heptanol	187.39
ethylbenzene	290.6
MIBK	393.42
2-propoxyethanol	364.55
tert-butanol	227.09
MTBE	310.03
2-butoxyethanol	269.07
propionic acid	279.87
o-xylene	322.55
formic acid	60.56
diethyl ether	281.6
m-xylene	384.15
p-xylene	390.48
chlorobenzene	633.58
dimethyl carbonate	317.87
n-octane	35.42
formamide	120.16
cyclopentanone	1320.18
2-pentanone	575.17
anisole	475.74
cyclopentyl methyl ether	567.46
gamma-butyrolactone	1281.05
1-methoxy-2-propanol	301.13
pyridine	658.02
3-pentanone	513.29
furfural	997.3
n-dodecane	32.05
diethylene glycol	220.22
diisopropyl ether	153.16
tert-amyl alcohol	221.86
acetylacetone	740.51
n-hexadecane	37.41
acetophenone	473.92
methyl propionate	473.77
isopentyl acetate	486.25
trichloroethylene	1458.73
n-nonanol	189.84
cyclohexanol	292.59
benzyl alcohol	280.14
2-ethylhexanol	227.08
isooctanol	165.7
dipropyl ether	283.71
1,2-dichlorobenzene	642.48
ethyl lactate	219.75
propylene carbonate	880.89
n-methylformamide	348.42
2-pentanol	162.15
n-pentane	48.03
1-propoxy-2-propanol	330.63
1-methoxy-2-propyl acetate	522.7
2-(2-methoxypropoxy) propanol	320.74
mesitylene	265.25
ε-caprolactone	795.84
p-cymene	225.77
epichlorohydrin	1035.84
1,1,1-trichloroethane	924.91
2-aminoethanol	107.62
morpholine-4-carbaldehyde	806.6
sulfolane	1417.34
2,2,4-trimethylpentane	38.47
2-methyltetrahydrofuran	755.73
n-hexyl acetate	565.24
isooctane	34.91
2-(2-butoxyethoxy)ethanol	338.95
sec-butyl acetate	286.03
tert-butyl acetate	477.76
decalin	79.0
glycerin	143.44
diglyme	616.46
acrylic acid	284.38
isopropyl myristate	255.25
n-butyric acid	359.28
acetyl acetate	433.57
di(2-ethylhexyl) phthalate	226.67
ethyl propionate	357.56
nitromethane	583.44
1,2-diethoxyethane	312.92
benzonitrile	525.35
trioctyl phosphate	189.39
1-bromopropane	420.28
gamma-valerolactone	1219.58
n-decanol	147.27
triethyl phosphate	224.74
4-methyl-2-pentanol	135.63
propionitrile	405.96
vinylene carbonate	799.01
1,1,2-trichlorotrifluoroethane	605.54
DMS	485.34
cumene	211.8
2-octanol	151.35
2-hexanone	397.47
octyl acetate	311.49
limonene	286.8
1,2-dimethoxyethane	426.02
ethyl orthosilicate	196.22
tributyl phosphate	215.47
diacetone alcohol	408.19
N,N-dimethylaniline	331.47
acrylonitrile	498.17
aniline	369.55
1,3-propanediol	135.99
bromobenzene	751.29
dibromomethane	719.43
1,1,2,2-tetrachloroethane	1074.97
2-methyl-cyclohexyl acetate	372.2
tetrabutyl urea	260.57
diisobutyl methanol	154.65
2-phenylethanol	352.49
styrene	327.23
dioctyl adipate	336.97
dimethyl sulfate	547.72
ethyl butyrate	404.58
methyl lactate	292.85
butyl lactate	296.71
diethyl carbonate	305.89
propanediol butyl ether	294.13
triethyl orthoformate	272.54
p-tert-butyltoluene	231.83
methyl 4-tert-butylbenzoate	462.87
morpholine	542.78
tert-butylamine	155.4
n-dodecanol	116.97
dimethoxymethane	455.27
ethylene carbonate	604.49
cyrene	376.81
2-ethoxyethyl acetate	421.57
2-ethylhexyl acetate	419.01
1,2,4-trichlorobenzene	729.14
4-methylpyridine	759.86
dibutyl ether	261.34
2,6-dimethyl-4-heptanol	154.65
DEF	523.28
dimethyl isosorbide	649.04
tetrachloroethylene	614.17
eugenol	385.93
triacetin	544.58
span 80	328.3
1,4-butanediol	72.49
1,1-dichloroethane	806.49
2-methyl-1-pentanol	143.44
methyl formate	360.59
2-methyl-1-butanol	185.92
n-decane	50.76
butyronitrile	405.61
3,7-dimethyl-1-octanol	213.76
1-chlorooctane	210.73
1-chlorotetradecane	91.43
n-nonane	50.02
undecane	39.05
tert-butylcyclohexane	75.06
cyclooctane	53.87
cyclopentanol	345.15
tetrahydropyran	618.54
tert-amyl methyl ether	263.39
2,5,8-trioxanonane	441.43
1-hexene	159.72
2-isopropoxyethanol	171.21
2,2,2-trifluoroethanol	138.06
methyl butyrate	459.84

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