Molecular formula
C14H18O

SMILES
CC(C)CCC(=CC1=CC=CC=C1)C=O

Fragrance
Floral	68.08%
Fruity	67.15%
Green	64.15%
Sweet	55.66%
Herbal	52.46%
Balsamic	39.46%
Jasmin	39.25%
Aldehydic	37.92%
Spicy	37.78%
Fresh	37.76%

 

Flavor
Green	55.0%
Herbal	46.69%
Floral	46.54%
Fresh	39.06%
Waxy	33.4%
Bitter	32.23%
Spicy	31.0%
Jasmin	28.55%
Oily	26.08%
Sweet	24.42%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
7.65 (neutral)

Molecular weight
202.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
290°C

Flash point

• 133.38 ˚C est.

• SCHEMBL1626900

2-Benzylidene-5-methylhexanal is regarded as a fragrance intermediate and odor-active ingredient in the fragrance and flavor sector, commonly used to synthesize complex aroma compounds for perfumes and personal care products; it may also serve as an aroma component in some household and cleaning products to enhance scent and perceived freshness. In cosmetics and personal care, it can participate in the synthesis of additional aroma compounds or act as a fragrance carrier in certain formulations. In the food sector, it is considered as a potential precursor for flavor development, subject to safety regulations and quality controls. In industrial manufacturing, 2-Benzylidene-5-methylhexanal can serve as an intermediate or starting material for the synthesis of fragrance-related chemicals or other functional substances.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1588.77
methanol	859.98
isopropanol	1126.69
water	0.16
ethyl acetate	2948.15
n-propanol	1225.93
acetone	3266.27
n-butanol	1055.72
acetonitrile	2024.83
DMF	2928.87
toluene	666.1
isobutanol	819.38
1,4-dioxane	1642.13
methyl acetate	2143.96
THF	2245.5
2-butanone	2821.44
n-pentanol	545.79
sec-butanol	830.52
n-hexane	88.85
ethylene glycol	161.18
NMP	1104.46
cyclohexane	105.67
DMSO	1728.54
n-butyl acetate	1288.07
n-octanol	166.93
chloroform	3241.86
n-propyl acetate	1101.55
acetic acid	814.13
dichloromethane	3629.21
cyclohexanone	1981.7
propylene glycol	335.52
isopropyl acetate	1342.97
DMAc	1822.59
2-ethoxyethanol	788.96
isopentanol	823.81
n-heptane	39.85
ethyl formate	1002.2
1,2-dichloroethane	2989.58
n-hexanol	647.13
2-methoxyethanol	1592.47
isobutyl acetate	618.92
tetrachloromethane	231.52
n-pentyl acetate	424.39
transcutol	3317.16
n-heptanol	190.39
ethylbenzene	328.26
MIBK	935.54
2-propoxyethanol	1148.34
tert-butanol	963.85
MTBE	1315.99
2-butoxyethanol	459.95
propionic acid	840.77
o-xylene	289.23
formic acid	157.72
diethyl ether	1952.52
m-xylene	381.05
p-xylene	371.06
chlorobenzene	939.03
dimethyl carbonate	614.1
n-octane	19.04
formamide	437.8
cyclopentanone	2322.05
2-pentanone	2217.83
anisole	798.11
cyclopentyl methyl ether	1067.27
gamma-butyrolactone	2088.21
1-methoxy-2-propanol	1358.26
pyridine	1853.75
3-pentanone	1528.1
furfural	1464.59
n-dodecane	15.04
diethylene glycol	647.61
diisopropyl ether	393.92
tert-amyl alcohol	663.37
acetylacetone	1929.39
n-hexadecane	17.84
acetophenone	674.69
methyl propionate	1944.25
isopentyl acetate	1002.28
trichloroethylene	4874.98
n-nonanol	153.04
cyclohexanol	547.18
benzyl alcohol	500.59
2-ethylhexanol	337.5
isooctanol	174.17
dipropyl ether	563.8
1,2-dichlorobenzene	778.75
ethyl lactate	351.67
propylene carbonate	1083.18
n-methylformamide	1161.42
2-pentanol	689.13
n-pentane	69.54
1-propoxy-2-propanol	871.21
1-methoxy-2-propyl acetate	1101.0
2-(2-methoxypropoxy) propanol	463.94
mesitylene	207.89
ε-caprolactone	1410.45
p-cymene	152.02
epichlorohydrin	3170.74
1,1,1-trichloroethane	1938.22
2-aminoethanol	447.44
morpholine-4-carbaldehyde	1276.5
sulfolane	1640.75
2,2,4-trimethylpentane	37.85
2-methyltetrahydrofuran	1684.51
n-hexyl acetate	593.08
isooctane	38.17
2-(2-butoxyethoxy)ethanol	701.62
sec-butyl acetate	700.68
tert-butyl acetate	1074.09
decalin	64.58
glycerin	333.24
diglyme	1433.08
acrylic acid	608.23
isopropyl myristate	211.28
n-butyric acid	1464.44
acetyl acetate	1058.5
di(2-ethylhexyl) phthalate	173.79
ethyl propionate	994.22
nitromethane	2138.41
1,2-diethoxyethane	1175.0
benzonitrile	753.99
trioctyl phosphate	119.94
1-bromopropane	1521.18
gamma-valerolactone	2301.62
n-decanol	115.66
triethyl phosphate	227.01
4-methyl-2-pentanol	350.8
propionitrile	1362.04
vinylene carbonate	956.31
1,1,2-trichlorotrifluoroethane	1268.65
DMS	615.25
cumene	189.59
2-octanol	126.46
2-hexanone	1041.19
octyl acetate	241.73
limonene	224.45
1,2-dimethoxyethane	1455.95
ethyl orthosilicate	211.05
tributyl phosphate	182.09
diacetone alcohol	1011.04
N,N-dimethylaniline	370.7
acrylonitrile	1600.1
aniline	696.46
1,3-propanediol	670.57
bromobenzene	1077.14
dibromomethane	2188.86
1,1,2,2-tetrachloroethane	3368.61
2-methyl-cyclohexyl acetate	409.49
tetrabutyl urea	213.16
diisobutyl methanol	207.91
2-phenylethanol	462.17
styrene	490.32
dioctyl adipate	313.04
dimethyl sulfate	692.24
ethyl butyrate	754.94
methyl lactate	548.77
butyl lactate	334.32
diethyl carbonate	450.74
propanediol butyl ether	405.05
triethyl orthoformate	380.55
p-tert-butyltoluene	149.83
methyl 4-tert-butylbenzoate	379.95
morpholine	2179.87
tert-butylamine	572.81
n-dodecanol	89.47
dimethoxymethane	1759.65
ethylene carbonate	803.21
cyrene	344.51
2-ethoxyethyl acetate	734.71
2-ethylhexyl acetate	691.9
1,2,4-trichlorobenzene	867.51
4-methylpyridine	1731.76
dibutyl ether	387.88
2,6-dimethyl-4-heptanol	207.91
DEF	1741.2
dimethyl isosorbide	732.93
tetrachloroethylene	1644.72
eugenol	381.67
triacetin	518.66
span 80	337.92
1,4-butanediol	220.21
1,1-dichloroethane	2846.83
2-methyl-1-pentanol	470.32
methyl formate	823.13
2-methyl-1-butanol	708.87
n-decane	25.8
butyronitrile	1319.51
3,7-dimethyl-1-octanol	230.1
1-chlorooctane	169.9
1-chlorotetradecane	60.22
n-nonane	25.28
undecane	18.95
tert-butylcyclohexane	60.89
cyclooctane	33.7
cyclopentanol	566.18
tetrahydropyran	1892.25
tert-amyl methyl ether	699.31
2,5,8-trioxanonane	818.79
1-hexene	525.04
2-isopropoxyethanol	585.74
2,2,2-trifluoroethanol	218.69
methyl butyrate	1296.25

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