Molecular formula
C14H30O2

SMILES
CCCCCCOC(CCCCC)OCC

Fragrance
Green	96.91%
Apple	67.09%
Cognac	63.17%
Oily	61.66%
Vegetable	49.36%
Alcoholic	47.07%
Herbal	46.47%
Fruity	40.96%
Leafy	40.29%
Sweet	40.26%

 

Flavor
Fruity	63.03%
Green	62.05%
Floral	41.44%
Herbal	40.8%
Mushroom	39.24%
Waxy	38.0%
Earthy	34.86%
Fatty	34.31%
Sweet	32.3%
Oily	31.91%

 

Odor impact est.
Medium

XLogP3-AA
5.1

pKa est.
7.13 (neutral)

Molecular weight
230.39 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
256°C

Flash point

• 99.32 ˚C est.

• HEXANAL ETHYL HEXYL ACETAL

Hexanal ethyl hexyl acetal is commonly used as an odorant and fragrance intermediate in perfumery, contributing aldehydic, green notes. It may also be used as a flavor/aroma chemical in food-related applications where permitted. In cosmetics and personal care, it is typically used as a fragrance ingredient to add a fresh character. In household products, it can serve as a fragrance component in cleaners, detergents, and air fresheners. In industrial manufacturing, it is used as an intermediate in chemical synthesis and can function as a solvent or processing aid. In polymers and coatings, it may act as a reactive intermediate or specialty additive to tune the fragrance profile and performance of the system.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	26596.26
methanol	17938.39
isopropanol	27493.24
water	0.5
ethyl acetate	42473.08
n-propanol	25365.56
acetone	43716.11
n-butanol	27860.8
acetonitrile	26167.87
DMF	17142.47
toluene	14879.2
isobutanol	23578.14
1,4-dioxane	35136.5
methyl acetate	22613.19
THF	39447.79
2-butanone	30977.1
n-pentanol	17978.67
sec-butanol	27758.72
n-hexane	25823.07
ethylene glycol	1127.05
NMP	15744.94
cyclohexane	45807.48
DMSO	23285.02
n-butyl acetate	44305.34
n-octanol	9791.53
chloroform	53322.63
n-propyl acetate	29281.31
acetic acid	15176.74
dichloromethane	54512.19
cyclohexanone	50660.29
propylene glycol	2240.94
isopropyl acetate	30473.98
DMAc	13567.01
2-ethoxyethanol	12606.03
isopentanol	26855.37
n-heptane	16979.41
ethyl formate	15854.04
1,2-dichloroethane	41300.06
n-hexanol	21437.52
2-methoxyethanol	16760.5
isobutyl acetate	16214.58
tetrachloromethane	15289.48
n-pentyl acetate	23705.45
transcutol	31044.84
n-heptanol	8933.9
ethylbenzene	8690.58
MIBK	19018.94
2-propoxyethanol	16836.65
tert-butanol	34057.17
MTBE	47351.95
2-butoxyethanol	10246.46
propionic acid	13185.14
o-xylene	8780.37
formic acid	1721.47
diethyl ether	55833.88
m-xylene	8590.04
p-xylene	11978.32
chlorobenzene	17121.18
dimethyl carbonate	4134.88
n-octane	4793.37
formamide	3046.07
cyclopentanone	30483.04
2-pentanone	34295.9
anisole	10153.46
cyclopentyl methyl ether	33724.78
gamma-butyrolactone	24906.86
1-methoxy-2-propanol	14560.71
pyridine	29524.75
3-pentanone	23473.04
furfural	15145.73
n-dodecane	1908.81
diethylene glycol	5164.1
diisopropyl ether	20009.52
tert-amyl alcohol	30026.18
acetylacetone	24250.62
n-hexadecane	2312.94
acetophenone	9424.37
methyl propionate	18772.14
isopentyl acetate	31963.67
trichloroethylene	49850.95
n-nonanol	8207.44
cyclohexanol	34630.69
benzyl alcohol	6682.32
2-ethylhexanol	18294.66
isooctanol	8070.6
dipropyl ether	37561.9
1,2-dichlorobenzene	13682.98
ethyl lactate	4902.56
propylene carbonate	15924.41
n-methylformamide	9134.1
2-pentanol	25158.11
n-pentane	18761.01
1-propoxy-2-propanol	18440.62
1-methoxy-2-propyl acetate	16466.76
2-(2-methoxypropoxy) propanol	5426.6
mesitylene	6198.41
ε-caprolactone	36107.98
p-cymene	6628.29
epichlorohydrin	29772.38
1,1,1-trichloroethane	45323.66
2-aminoethanol	3774.88
morpholine-4-carbaldehyde	15252.12
sulfolane	21950.6
2,2,4-trimethylpentane	5090.72
2-methyltetrahydrofuran	48052.95
n-hexyl acetate	25126.47
isooctane	3924.23
2-(2-butoxyethoxy)ethanol	8513.92
sec-butyl acetate	20460.22
tert-butyl acetate	26284.57
decalin	8482.93
glycerin	2127.5
diglyme	20157.53
acrylic acid	7070.98
isopropyl myristate	6984.13
n-butyric acid	32122.13
acetyl acetate	18988.97
di(2-ethylhexyl) phthalate	3285.53
ethyl propionate	21983.6
nitromethane	23539.03
1,2-diethoxyethane	32243.56
benzonitrile	13679.56
trioctyl phosphate	3329.49
1-bromopropane	44543.39
gamma-valerolactone	30559.12
n-decanol	5182.08
triethyl phosphate	6099.21
4-methyl-2-pentanol	11890.38
propionitrile	22600.37
vinylene carbonate	12389.06
1,1,2-trichlorotrifluoroethane	15962.44
DMS	8588.1
cumene	5411.44
2-octanol	8330.66
2-hexanone	24925.93
octyl acetate	7840.67
limonene	14477.48
1,2-dimethoxyethane	31121.87
ethyl orthosilicate	7258.49
tributyl phosphate	5016.97
diacetone alcohol	14419.86
N,N-dimethylaniline	6584.19
acrylonitrile	16617.42
aniline	12579.16
1,3-propanediol	8543.72
bromobenzene	21183.12
dibromomethane	46541.31
1,1,2,2-tetrachloroethane	43383.03
2-methyl-cyclohexyl acetate	11466.55
tetrabutyl urea	6303.09
diisobutyl methanol	9834.4
2-phenylethanol	7284.37
styrene	11236.39
dioctyl adipate	7358.81
dimethyl sulfate	5037.07
ethyl butyrate	28429.03
methyl lactate	4179.73
butyl lactate	9458.58
diethyl carbonate	12526.91
propanediol butyl ether	6618.05
triethyl orthoformate	15870.62
p-tert-butyltoluene	5931.4
methyl 4-tert-butylbenzoate	6345.13
morpholine	42076.49
tert-butylamine	28612.48
n-dodecanol	3729.3
dimethoxymethane	14799.02
ethylene carbonate	15146.82
cyrene	3387.36
2-ethoxyethyl acetate	17373.92
2-ethylhexyl acetate	25788.79
1,2,4-trichlorobenzene	13294.11
4-methylpyridine	29953.54
dibutyl ether	32187.39
2,6-dimethyl-4-heptanol	9834.4
DEF	29728.01
dimethyl isosorbide	8144.77
tetrachloroethylene	31029.32
eugenol	4670.98
triacetin	10242.91
span 80	6470.49
1,4-butanediol	3382.54
1,1-dichloroethane	45759.83
2-methyl-1-pentanol	15782.51
methyl formate	6154.48
2-methyl-1-butanol	24016.62
n-decane	4508.54
butyronitrile	33264.18
3,7-dimethyl-1-octanol	10606.64
1-chlorooctane	12347.16
1-chlorotetradecane	3496.14
n-nonane	5507.54
undecane	2686.68
tert-butylcyclohexane	6590.16
cyclooctane	10611.24
cyclopentanol	23006.8
tetrahydropyran	70720.07
tert-amyl methyl ether	27383.61
2,5,8-trioxanonane	8560.55
1-hexene	40138.0
2-isopropoxyethanol	10850.89
2,2,2-trifluoroethanol	3545.67
methyl butyrate	31709.75

Scent© AI