Molecular formula
C13H16O

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

Fragrance
Green	75.27%
Floral	74.94%
Herbal	52.03%
Fruity	50.6%
Jasmin	44.8%
Aldehydic	43.95%
Sweet	41.91%
Oily	39.84%
Fresh	39.48%
Waxy	33.43%

 

Flavor
Green	68.66%
Fresh	50.27%
Floral	48.33%
Waxy	44.72%
Herbal	44.58%
Sweet	35.91%
Spicy	34.93%
Oily	34.2%
Leaf	33.87%
Fatty	32.35%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
7.43 (neutral)

Molecular weight
188.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
279°C

Flash point

• 132.28 ˚C est.

2-Benzylhex-2-enal is primarily evaluated as an aroma chemical for perfumery, contributing green and aldehydic notes as a fragrance ingredient in perfumes and cosmetic products. It may be used in household cleaning and air‑freshening products as a scent additive. The compound can also serve as an intermediate in industrial manufacturing for the synthesis of other aroma compounds, and as a building block in fragrance formulation research and development. In polymers and plastics, it can be incorporated as a scent ingredient or used in encapsulated fragrance formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1806.66
methanol	1727.91
isopropanol	1078.23
water	0.23
ethyl acetate	3225.01
n-propanol	1390.35
acetone	3832.01
n-butanol	1157.22
acetonitrile	2683.01
DMF	3965.3
toluene	861.26
isobutanol	847.07
1,4-dioxane	2041.48
methyl acetate	2190.25
THF	1811.27
2-butanone	2604.27
n-pentanol	581.85
sec-butanol	765.61
n-hexane	69.89
ethylene glycol	241.9
NMP	1395.02
cyclohexane	113.31
DMSO	2698.48
n-butyl acetate	1328.53
n-octanol	175.96
chloroform	4121.29
n-propyl acetate	1198.57
acetic acid	1060.49
dichloromethane	4947.01
cyclohexanone	2241.79
propylene glycol	354.06
isopropyl acetate	1243.13
DMAc	1975.36
2-ethoxyethanol	862.28
isopentanol	848.36
n-heptane	38.27
ethyl formate	1241.19
1,2-dichloroethane	4108.31
n-hexanol	678.08
2-methoxyethanol	1861.63
isobutyl acetate	615.01
tetrachloromethane	280.55
n-pentyl acetate	442.27
transcutol	3774.84
n-heptanol	199.96
ethylbenzene	367.21
MIBK	868.55
2-propoxyethanol	1070.69
tert-butanol	931.82
MTBE	1116.05
2-butoxyethanol	471.42
propionic acid	996.06
o-xylene	314.03
formic acid	256.07
diethyl ether	2074.82
m-xylene	415.13
p-xylene	371.04
chlorobenzene	1234.59
dimethyl carbonate	680.42
n-octane	17.94
formamide	661.61
cyclopentanone	2308.56
2-pentanone	2128.33
anisole	891.19
cyclopentyl methyl ether	1017.33
gamma-butyrolactone	2144.79
1-methoxy-2-propanol	1246.34
pyridine	2516.19
3-pentanone	1444.53
furfural	1634.26
n-dodecane	15.64
diethylene glycol	679.89
diisopropyl ether	334.08
tert-amyl alcohol	624.97
acetylacetone	1785.42
n-hexadecane	18.69
acetophenone	755.79
methyl propionate	1981.27
isopentyl acetate	949.74
trichloroethylene	5958.7
n-nonanol	163.32
cyclohexanol	643.71
benzyl alcohol	597.67
2-ethylhexanol	357.47
isooctanol	173.76
dipropyl ether	562.94
1,2-dichlorobenzene	935.74
ethyl lactate	343.2
propylene carbonate	1139.74
n-methylformamide	1623.99
2-pentanol	655.57
n-pentane	57.67
1-propoxy-2-propanol	781.54
1-methoxy-2-propyl acetate	954.25
2-(2-methoxypropoxy) propanol	434.76
mesitylene	217.68
ε-caprolactone	1506.33
p-cymene	151.48
epichlorohydrin	3359.16
1,1,1-trichloroethane	2275.43
2-aminoethanol	571.21
morpholine-4-carbaldehyde	1449.83
sulfolane	1817.43
2,2,4-trimethylpentane	31.74
2-methyltetrahydrofuran	1443.02
n-hexyl acetate	589.38
isooctane	31.78
2-(2-butoxyethoxy)ethanol	675.59
sec-butyl acetate	681.26
tert-butyl acetate	933.47
decalin	65.58
glycerin	375.81
diglyme	1473.54
acrylic acid	769.74
isopropyl myristate	206.09
n-butyric acid	1682.64
acetyl acetate	1129.11
di(2-ethylhexyl) phthalate	170.46
ethyl propionate	1027.88
nitromethane	2915.0
1,2-diethoxyethane	1245.55
benzonitrile	929.54
trioctyl phosphate	118.09
1-bromopropane	1804.2
gamma-valerolactone	2306.66
n-decanol	123.22
triethyl phosphate	223.99
4-methyl-2-pentanol	308.29
propionitrile	1609.81
vinylene carbonate	1125.58
1,1,2-trichlorotrifluoroethane	1381.16
DMS	627.59
cumene	196.25
2-octanol	128.66
2-hexanone	1060.22
octyl acetate	242.73
limonene	225.46
1,2-dimethoxyethane	1590.12
ethyl orthosilicate	212.82
tributyl phosphate	175.59
diacetone alcohol	836.14
N,N-dimethylaniline	386.64
acrylonitrile	2101.1
aniline	911.63
1,3-propanediol	792.85
bromobenzene	1383.97
dibromomethane	2964.08
1,1,2,2-tetrachloroethane	4096.64
2-methyl-cyclohexyl acetate	383.13
tetrabutyl urea	223.61
diisobutyl methanol	196.37
2-phenylethanol	512.53
styrene	609.64
dioctyl adipate	299.93
dimethyl sulfate	776.85
ethyl butyrate	788.02
methyl lactate	513.69
butyl lactate	325.18
diethyl carbonate	455.06
propanediol butyl ether	383.82
triethyl orthoformate	382.91
p-tert-butyltoluene	138.36
methyl 4-tert-butylbenzoate	366.48
morpholine	2513.39
tert-butylamine	543.89
n-dodecanol	93.2
dimethoxymethane	2060.27
ethylene carbonate	967.08
cyrene	339.8
2-ethoxyethyl acetate	738.8
2-ethylhexyl acetate	654.18
1,2,4-trichlorobenzene	1043.26
4-methylpyridine	2208.37
dibutyl ether	404.01
2,6-dimethyl-4-heptanol	196.37
DEF	2075.39
dimethyl isosorbide	697.6
tetrachloroethylene	2265.66
eugenol	383.13
triacetin	512.02
span 80	314.85
1,4-butanediol	257.63
1,1-dichloroethane	3439.43
2-methyl-1-pentanol	501.63
methyl formate	1132.89
2-methyl-1-butanol	767.61
n-decane	25.72
butyronitrile	1592.37
3,7-dimethyl-1-octanol	226.87
1-chlorooctane	175.79
1-chlorotetradecane	63.34
n-nonane	24.94
undecane	19.61
tert-butylcyclohexane	58.49
cyclooctane	32.49
cyclopentanol	550.57
tetrahydropyran	2151.58
tert-amyl methyl ether	595.96
2,5,8-trioxanonane	832.56
1-hexene	473.38
2-isopropoxyethanol	563.72
2,2,2-trifluoroethanol	284.62
methyl butyrate	1416.12

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