Molecular formula
C14H17N

SMILES
CCCCCC(=CC1=CC=CC=C1)C#N

Fragrance
Floral	74.12%
Green	62.45%
Waxy	44.89%
Fresh	44.46%
Fruity	43.7%
Jasmin	42.2%
Citrus	40.1%
Herbal	39.77%
Metallic	39.11%
Sweet	38.11%

 

Flavor
Bitter	29.98%
Herbal	26.47%
Nitrile	20.02%
Oriental	19.29%
Diterpene	18.79%
Low	18.59%
Terpentine	18.24%
Cedarleaf	18.21%
Lovage	18.05%
Creosote	17.95%

 

Odor impact est.
Medium

XLogP3-AA
4.5

pKa est.
7.2 (neutral)

Molecular weight
199.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
307°C

Flash point

• 151.32 ˚C est.

• PBQVZEWMPCPXSV-UHFFFAOYSA-N

2-Benzylideneheptanenitrile is primarily used as an intermediate in organic synthesis; it may function as an odorant or fixative in perfumery; it can serve as a fragrance ingredient in cosmetics and personal care; it is encountered as a reactive intermediate or precursor in coatings and inks; it can act as a monomer or comonomer in specialty polymers; it is used as an intermediate in adhesives; and in general industrial manufacturing it is handled as an organic synthesis intermediate, subject to formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1402.98
methanol	1662.64
isopropanol	665.23
water	0.18
ethyl acetate	4543.9
n-propanol	1076.8
acetone	5657.05
n-butanol	873.22
acetonitrile	3405.5
DMF	7445.68
toluene	1507.24
isobutanol	643.51
1,4-dioxane	2549.75
methyl acetate	3053.85
THF	3420.99
2-butanone	3606.18
n-pentanol	532.37
sec-butanol	549.89
n-hexane	116.04
ethylene glycol	303.19
NMP	3625.15
cyclohexane	238.61
DMSO	6275.83
n-butyl acetate	1798.94
n-octanol	213.45
chloroform	5708.82
n-propyl acetate	1591.48
acetic acid	1402.57
dichloromethane	7990.56
cyclohexanone	3929.05
propylene glycol	394.26
isopropyl acetate	1640.27
DMAc	3343.47
2-ethoxyethanol	907.58
isopentanol	563.18
n-heptane	64.73
ethyl formate	1761.21
1,2-dichloroethane	6001.41
n-hexanol	615.64
2-methoxyethanol	1851.95
isobutyl acetate	720.69
tetrachloromethane	508.59
n-pentyl acetate	723.99
transcutol	4373.8
n-heptanol	204.25
ethylbenzene	453.08
MIBK	1103.76
2-propoxyethanol	1127.63
tert-butanol	530.26
MTBE	795.72
2-butoxyethanol	514.98
propionic acid	1317.63
o-xylene	442.16
formic acid	416.51
diethyl ether	2170.28
m-xylene	592.28
p-xylene	481.78
chlorobenzene	2195.29
dimethyl carbonate	1444.43
n-octane	24.93
formamide	1158.91
cyclopentanone	4825.44
2-pentanone	3272.98
anisole	1150.9
cyclopentyl methyl ether	1712.41
gamma-butyrolactone	4288.72
1-methoxy-2-propanol	1238.89
pyridine	4146.91
3-pentanone	2478.29
furfural	2992.67
n-dodecane	19.39
diethylene glycol	739.32
diisopropyl ether	370.92
tert-amyl alcohol	390.69
acetylacetone	3563.65
n-hexadecane	23.73
acetophenone	1041.47
methyl propionate	3272.28
isopentyl acetate	1072.92
trichloroethylene	9734.33
n-nonanol	183.33
cyclohexanol	741.33
benzyl alcohol	706.42
2-ethylhexanol	334.57
isooctanol	164.82
dipropyl ether	726.72
1,2-dichlorobenzene	1631.61
ethyl lactate	446.05
propylene carbonate	2052.97
n-methylformamide	2955.06
2-pentanol	506.02
n-pentane	87.6
1-propoxy-2-propanol	810.28
1-methoxy-2-propyl acetate	1238.94
2-(2-methoxypropoxy) propanol	430.49
mesitylene	278.77
ε-caprolactone	2408.37
p-cymene	169.6
epichlorohydrin	4881.56
1,1,1-trichloroethane	3194.03
2-aminoethanol	549.86
morpholine-4-carbaldehyde	2540.28
sulfolane	4304.31
2,2,4-trimethylpentane	31.82
2-methyltetrahydrofuran	2137.06
n-hexyl acetate	901.05
isooctane	31.82
2-(2-butoxyethoxy)ethanol	734.3
sec-butyl acetate	797.95
tert-butyl acetate	1176.34
decalin	84.14
glycerin	468.09
diglyme	1833.96
acrylic acid	1228.1
isopropyl myristate	257.8
n-butyric acid	1834.43
acetyl acetate	2006.79
di(2-ethylhexyl) phthalate	203.62
ethyl propionate	1349.84
nitromethane	5290.5
1,2-diethoxyethane	1581.97
benzonitrile	1373.3
trioctyl phosphate	156.69
1-bromopropane	2363.33
gamma-valerolactone	4131.26
n-decanol	129.37
triethyl phosphate	276.17
4-methyl-2-pentanol	226.05
propionitrile	1986.5
vinylene carbonate	2014.93
1,1,2-trichlorotrifluoroethane	2618.77
DMS	1117.64
cumene	208.53
2-octanol	137.29
2-hexanone	1344.44
octyl acetate	323.85
limonene	278.71
1,2-dimethoxyethane	1817.03
ethyl orthosilicate	269.78
tributyl phosphate	233.17
diacetone alcohol	899.17
N,N-dimethylaniline	478.73
acrylonitrile	3011.86
aniline	1401.38
1,3-propanediol	678.16
bromobenzene	2604.34
dibromomethane	4488.72
1,1,2,2-tetrachloroethane	6057.33
2-methyl-cyclohexyl acetate	454.95
tetrabutyl urea	319.17
diisobutyl methanol	175.51
2-phenylethanol	602.52
styrene	853.22
dioctyl adipate	383.8
dimethyl sulfate	1891.37
ethyl butyrate	1055.56
methyl lactate	823.87
butyl lactate	479.59
diethyl carbonate	601.16
propanediol butyl ether	500.13
triethyl orthoformate	522.51
p-tert-butyltoluene	150.98
methyl 4-tert-butylbenzoate	436.75
morpholine	3120.14
tert-butylamine	311.61
n-dodecanol	97.97
dimethoxymethane	3023.99
ethylene carbonate	1699.8
cyrene	448.39
2-ethoxyethyl acetate	1232.18
2-ethylhexyl acetate	822.14
1,2,4-trichlorobenzene	1778.76
4-methylpyridine	3536.17
dibutyl ether	562.2
2,6-dimethyl-4-heptanol	175.51
DEF	3142.15
dimethyl isosorbide	834.67
tetrachloroethylene	3451.32
eugenol	468.73
triacetin	844.72
span 80	374.83
1,4-butanediol	268.94
1,1-dichloroethane	4449.23
2-methyl-1-pentanol	394.65
methyl formate	2171.64
2-methyl-1-butanol	545.42
n-decane	34.06
butyronitrile	1774.7
3,7-dimethyl-1-octanol	216.61
1-chlorooctane	229.55
1-chlorotetradecane	75.72
n-nonane	34.17
undecane	24.7
tert-butylcyclohexane	62.9
cyclooctane	58.1
cyclopentanol	752.62
tetrahydropyran	2913.41
tert-amyl methyl ether	512.0
2,5,8-trioxanonane	909.57
1-hexene	561.94
2-isopropoxyethanol	568.44
2,2,2-trifluoroethanol	455.91
methyl butyrate	1785.78

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