Molecular formula
C13H19N

SMILES
CC1CC2C(C2(C)C)CC1=CCC#N

Fragrance
Woody	65.67%
Floral	63.24%
Spicy	36.61%
Citrus	35.3%
Sandalwood	35.15%
Fresh	34.91%
Dry	34.63%
Amber	31.74%
Rose	31.47%
Ozone	31.38%

 

Flavor
Woody	43.81%
Wood	28.45%
Herbal	27.87%
Bitter	26.08%
Herb	24.16%
Sandalwood	21.55%
Fir needle	21.32%
Spice	21.28%
Balsam	20.8%
Oriental	20.56%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
8.98 (weak base)

Molecular weight
189.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
310°C

Flash point

• 96.14 ˚C est.

• SCHEMBL3126000
• DTXSID60988517
• WHPKEUKLQUSZBC-UHFFFAOYSA-N
• NS00062446
• 3-(4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ylidene)propanenitrile

3-(4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ylidene)propanenitrile is primarily used as an organic synthesis intermediate and as a building block for specialty, high-performance polymers. It can function as a reactive nitrile-containing monomer or co-monomer in polymer formulations, contributing rigidity from the bicyclic scaffold. It is also evaluated as a precursor for bicyclic nitrile-containing compounds in pharmaceutical and agrochemical research. In coatings and inks, it may serve as a functionalized monomer or crosslinking component, imparting thermal and solvent resistance. It is sometimes explored in adhesive formulations as a reactive intermediate to tailor adhesion properties. In electronics and advanced materials research, such nitrile-containing bicyclic systems are studied as scaffolds for functional materials and resist formulations, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	259.6
methanol	247.13
isopropanol	230.54
water	1.3
ethyl acetate	535.4
n-propanol	229.37
acetone	799.91
n-butanol	191.99
acetonitrile	460.27
DMF	650.54
toluene	268.89
isobutanol	160.61
1,4-dioxane	770.62
methyl acetate	542.99
THF	1022.73
2-butanone	561.49
n-pentanol	116.46
sec-butanol	146.22
n-hexane	17.33
ethylene glycol	108.61
NMP	334.31
cyclohexane	46.83
DMSO	467.32
n-butyl acetate	274.12
n-octanol	92.32
chloroform	847.98
n-propyl acetate	255.09
acetic acid	218.38
dichloromethane	714.46
cyclohexanone	527.99
propylene glycol	132.11
isopropyl acetate	364.6
DMAc	466.16
2-ethoxyethanol	226.48
isopentanol	162.85
n-heptane	20.1
ethyl formate	253.9
1,2-dichloroethane	475.63
n-hexanol	170.88
2-methoxyethanol	385.77
isobutyl acetate	191.67
tetrachloromethane	135.62
n-pentyl acetate	174.42
transcutol	852.11
n-heptanol	91.14
ethylbenzene	121.71
MIBK	272.76
2-propoxyethanol	342.92
tert-butanol	236.38
MTBE	296.2
2-butoxyethanol	201.64
propionic acid	229.28
o-xylene	143.21
formic acid	97.38
diethyl ether	364.98
m-xylene	180.33
p-xylene	168.86
chlorobenzene	322.35
dimethyl carbonate	285.98
n-octane	10.42
formamide	185.23
cyclopentanone	792.05
2-pentanone	429.02
anisole	294.13
cyclopentyl methyl ether	356.22
gamma-butyrolactone	695.75
1-methoxy-2-propanol	350.85
pyridine	512.94
3-pentanone	368.83
furfural	513.73
n-dodecane	10.61
diethylene glycol	305.11
diisopropyl ether	126.93
tert-amyl alcohol	144.84
acetylacetone	636.3
n-hexadecane	12.6
acetophenone	244.88
methyl propionate	435.81
isopentyl acetate	262.4
trichloroethylene	841.81
n-nonanol	84.36
cyclohexanol	169.94
benzyl alcohol	176.0
2-ethylhexanol	98.25
isooctanol	76.42
dipropyl ether	160.18
1,2-dichlorobenzene	272.57
ethyl lactate	140.5
propylene carbonate	388.54
n-methylformamide	322.26
2-pentanol	133.57
n-pentane	20.84
1-propoxy-2-propanol	245.9
1-methoxy-2-propyl acetate	383.27
2-(2-methoxypropoxy) propanol	200.69
mesitylene	113.65
ε-caprolactone	403.99
p-cymene	77.23
epichlorohydrin	737.19
1,1,1-trichloroethane	472.85
2-aminoethanol	149.23
morpholine-4-carbaldehyde	456.42
sulfolane	514.11
2,2,4-trimethylpentane	12.93
2-methyltetrahydrofuran	515.48
n-hexyl acetate	243.69
isooctane	15.17
2-(2-butoxyethoxy)ethanol	264.69
sec-butyl acetate	197.46
tert-butyl acetate	342.78
decalin	24.78
glycerin	161.1
diglyme	559.96
acrylic acid	212.82
isopropyl myristate	103.61
n-butyric acid	267.77
acetyl acetate	393.84
di(2-ethylhexyl) phthalate	95.51
ethyl propionate	241.66
nitromethane	580.59
1,2-diethoxyethane	316.41
benzonitrile	271.47
trioctyl phosphate	69.74
1-bromopropane	243.4
gamma-valerolactone	747.87
n-decanol	64.31
triethyl phosphate	104.89
4-methyl-2-pentanol	102.25
propionitrile	352.46
vinylene carbonate	393.46
1,1,2-trichlorotrifluoroethane	425.23
DMS	325.23
cumene	83.32
2-octanol	67.78
2-hexanone	244.8
octyl acetate	119.46
limonene	92.83
1,2-dimethoxyethane	433.81
ethyl orthosilicate	95.16
tributyl phosphate	86.58
diacetone alcohol	299.98
N,N-dimethylaniline	155.28
acrylonitrile	416.4
aniline	245.7
1,3-propanediol	190.05
bromobenzene	347.07
dibromomethane	438.34
1,1,2,2-tetrachloroethane	605.97
2-methyl-cyclohexyl acetate	164.4
tetrabutyl urea	95.14
diisobutyl methanol	80.57
2-phenylethanol	205.05
styrene	151.61
dioctyl adipate	134.11
dimethyl sulfate	312.97
ethyl butyrate	201.78
methyl lactate	222.21
butyl lactate	147.49
diethyl carbonate	162.13
propanediol butyl ether	192.41
triethyl orthoformate	147.44
p-tert-butyltoluene	81.51
methyl 4-tert-butylbenzoate	197.96
morpholine	620.09
tert-butylamine	139.47
n-dodecanol	50.98
dimethoxymethane	504.58
ethylene carbonate	337.99
cyrene	186.78
2-ethoxyethyl acetate	319.62
2-ethylhexyl acetate	198.83
1,2,4-trichlorobenzene	297.77
4-methylpyridine	431.73
dibutyl ether	127.83
2,6-dimethyl-4-heptanol	80.57
DEF	293.14
dimethyl isosorbide	338.36
tetrachloroethylene	352.48
eugenol	178.79
triacetin	297.14
span 80	163.21
1,4-butanediol	87.19
1,1-dichloroethane	525.29
2-methyl-1-pentanol	97.76
methyl formate	293.85
2-methyl-1-butanol	130.09
n-decane	17.17
butyronitrile	281.18
3,7-dimethyl-1-octanol	98.74
1-chlorooctane	74.14
1-chlorotetradecane	32.52
n-nonane	15.35
undecane	13.04
tert-butylcyclohexane	22.7
cyclooctane	17.89
cyclopentanol	208.92
tetrahydropyran	594.88
tert-amyl methyl ether	165.95
2,5,8-trioxanonane	350.07
1-hexene	70.52
2-isopropoxyethanol	179.55
2,2,2-trifluoroethanol	143.64
methyl butyrate	264.03

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