CAS number
7492-44-6

Molecular formula
C13H16O

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

Safety labels

Fragrance
Floral	80.44%
Green	80.22%
Fruity	69.68%
Herbal	63.58%
Jasmin	55.45%
Sweet	52.15%
Balsamic	43.0%
Oily	41.0%
Fresh	38.86%
Spicy	38.39%

 

Flavor
Green	55.65%
Herbal	46.35%
Fresh	45.25%
Floral	44.04%
Waxy	37.46%
Spicy	32.05%
Oily	30.44%
Jasmin	29.14%
Balsam	28.7%
Leaf	26.91%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
7.27 (neutral)

Molecular weight
188.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
280°C

Flash point

• 133.28 ˚C est.

Solubility expt.

• insoluble in water; soluble in oils
• miscible (in ethanol)

• 2-Benzylidenehexanal
• 2-(Phenylmethylene)hexanal
• 7492-44-6
• alpha-butyl cinnamaldehyde
• DTXSID7052490
• SCHEMBL113478
• GFBCBQNBXRPRQD-UHFFFAOYSA-N
• DB-074908

2-Benzylidenehexanal (CAS 7492-44-6) is primarily used as an intermediate in fragrance and flavor chemistry, providing a reactive aldehyde building block for the synthesis of aroma compounds. It is commonly evaluated for use as a fragrance ingredient or odorant in perfumery and cosmetics, with potential applications in limited household product formulations under regulatory controls. In the polymers and coatings sectors, it can serve as a reactive aldehyde building block for specialty polymers or coating formulations. It is also explored as a precursor in R&D for aroma-release systems and functional coatings used in adhesives and electronics, though practical use is constrained by formulation compatibility and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2032.83
methanol	1792.46
isopropanol	1244.67
water	0.16
ethyl acetate	3462.5
n-propanol	1614.15
acetone	4438.47
n-butanol	1341.44
acetonitrile	2941.1
DMF	4712.74
toluene	1041.01
isobutanol	1008.24
1,4-dioxane	2127.03
methyl acetate	2406.73
THF	2119.53
2-butanone	3012.32
n-pentanol	667.03
sec-butanol	906.72
n-hexane	98.39
ethylene glycol	239.87
NMP	1717.79
cyclohexane	152.59
DMSO	3003.54
n-butyl acetate	1591.47
n-octanol	217.69
chloroform	4537.67
n-propyl acetate	1350.18
acetic acid	1118.8
dichloromethane	5567.2
cyclohexanone	2652.39
propylene glycol	362.11
isopropyl acetate	1368.93
DMAc	2257.69
2-ethoxyethanol	892.51
isopentanol	969.95
n-heptane	50.62
ethyl formate	1410.91
1,2-dichloroethane	4662.65
n-hexanol	794.68
2-methoxyethanol	1989.92
isobutyl acetate	683.83
tetrachloromethane	313.82
n-pentyl acetate	538.62
transcutol	3937.76
n-heptanol	236.58
ethylbenzene	442.09
MIBK	993.0
2-propoxyethanol	1195.16
tert-butanol	1015.57
MTBE	1272.01
2-butoxyethanol	524.36
propionic acid	1088.22
o-xylene	369.58
formic acid	236.3
diethyl ether	2374.19
m-xylene	497.5
p-xylene	434.8
chlorobenzene	1485.37
dimethyl carbonate	759.34
n-octane	23.93
formamide	660.47
cyclopentanone	2788.86
2-pentanone	2512.89
anisole	998.97
cyclopentyl methyl ether	1217.82
gamma-butyrolactone	2530.7
1-methoxy-2-propanol	1404.15
pyridine	3000.25
3-pentanone	1673.32
furfural	1878.96
n-dodecane	20.19
diethylene glycol	704.53
diisopropyl ether	391.02
tert-amyl alcohol	710.43
acetylacetone	2032.38
n-hexadecane	24.26
acetophenone	854.47
methyl propionate	2268.87
isopentyl acetate	1115.79
trichloroethylene	6904.77
n-nonanol	197.12
cyclohexanol	768.97
benzyl alcohol	668.27
2-ethylhexanol	422.09
isooctanol	201.22
dipropyl ether	661.49
1,2-dichlorobenzene	1100.88
ethyl lactate	379.89
propylene carbonate	1338.45
n-methylformamide	1838.05
2-pentanol	777.14
n-pentane	82.24
1-propoxy-2-propanol	889.69
1-methoxy-2-propyl acetate	1059.37
2-(2-methoxypropoxy) propanol	469.72
mesitylene	254.87
ε-caprolactone	1796.31
p-cymene	175.54
epichlorohydrin	3823.18
1,1,1-trichloroethane	2629.52
2-aminoethanol	590.05
morpholine-4-carbaldehyde	1644.2
sulfolane	2126.42
2,2,4-trimethylpentane	38.64
2-methyltetrahydrofuran	1708.86
n-hexyl acetate	717.23
isooctane	38.34
2-(2-butoxyethoxy)ethanol	728.09
sec-butyl acetate	761.16
tert-butyl acetate	1046.0
decalin	81.37
glycerin	378.83
diglyme	1575.6
acrylic acid	832.8
isopropyl myristate	241.91
n-butyric acid	1884.73
acetyl acetate	1219.46
di(2-ethylhexyl) phthalate	190.58
ethyl propionate	1182.05
nitromethane	3099.91
1,2-diethoxyethane	1377.16
benzonitrile	1110.98
trioctyl phosphate	136.1
1-bromopropane	2191.57
gamma-valerolactone	2660.36
n-decanol	145.43
triethyl phosphate	247.25
4-methyl-2-pentanol	351.68
propionitrile	1870.59
vinylene carbonate	1292.15
1,1,2-trichlorotrifluoroethane	1523.41
DMS	713.55
cumene	224.73
2-octanol	158.26
2-hexanone	1223.05
octyl acetate	290.16
limonene	267.96
1,2-dimethoxyethane	1724.84
ethyl orthosilicate	232.89
tributyl phosphate	202.51
diacetone alcohol	924.9
N,N-dimethylaniline	435.21
acrylonitrile	2411.97
aniline	1082.37
1,3-propanediol	834.12
bromobenzene	1691.23
dibromomethane	3397.93
1,1,2,2-tetrachloroethane	4629.51
2-methyl-cyclohexyl acetate	425.65
tetrabutyl urea	261.22
diisobutyl methanol	222.03
2-phenylethanol	585.47
styrene	729.11
dioctyl adipate	345.9
dimethyl sulfate	860.44
ethyl butyrate	902.21
methyl lactate	572.95
butyl lactate	381.16
diethyl carbonate	510.8
propanediol butyl ether	431.61
triethyl orthoformate	428.49
p-tert-butyltoluene	158.94
methyl 4-tert-butylbenzoate	405.02
morpholine	2816.82
tert-butylamine	613.95
n-dodecanol	110.55
dimethoxymethane	2317.63
ethylene carbonate	1117.87
cyrene	361.58
2-ethoxyethyl acetate	843.07
2-ethylhexyl acetate	774.89
1,2,4-trichlorobenzene	1220.39
4-methylpyridine	2718.06
dibutyl ether	498.99
2,6-dimethyl-4-heptanol	222.03
DEF	2443.57
dimethyl isosorbide	747.17
tetrachloroethylene	2539.65
eugenol	418.19
triacetin	571.85
span 80	350.03
1,4-butanediol	265.28
1,1-dichloroethane	4037.68
2-methyl-1-pentanol	565.29
methyl formate	1259.29
2-methyl-1-butanol	903.38
n-decane	33.3
butyronitrile	1886.82
3,7-dimethyl-1-octanol	269.28
1-chlorooctane	221.88
1-chlorotetradecane	77.19
n-nonane	32.63
undecane	25.38
tert-butylcyclohexane	69.94
cyclooctane	43.25
cyclopentanol	681.24
tetrahydropyran	2523.55
tert-amyl methyl ether	689.27
2,5,8-trioxanonane	881.41
1-hexene	607.58
2-isopropoxyethanol	598.22
2,2,2-trifluoroethanol	283.91
methyl butyrate	1641.38

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