Molecular formula
C29H54O16

SMILES
CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC

Fragrance
Odorless	63.84%
Alcoholic	32.69%
Fruity	20.97%
Buttery	19.84%
Ethereal	18.82%
Sweet	18.66%
Milky	18.0%
Cooling	17.65%
Malty	17.14%
Mint	15.58%

 

Flavor
Sweet	47.58%
Fatty	36.94%
Bitter	36.83%
Odorless	30.34%
Sweet-like	27.41%
Cauliflower	23.28%
Vegetable	22.65%
Oily	21.97%
Very slight	21.69%
Bouillon	21.4%

 

Odor impact est.
Low

XLogP3-AA
-2.0

pKa est.
3.29 (weak acid)

Molecular weight
658.7 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
1265°C

Flash point

• 131.21 ˚C est.

Hex4Me(?1-4)Hex2Me3Me6Me(?1-4)[Et(-2)][Et(-3)][Et(-6)]Hex1Me is a highly substituted, nonpolar hydrocarbon that may serve as an intermediate in aromatic synthesis and in specialty chemical manufacturing, and it is often evaluated as a high‑boiling solvent or processing aid in industrial formulations. It can act as a precursor or building block for specialty polymers or resins used in coatings and adhesives, and may function as a fragrance fixative or odorant component in perfumery and cosmetics. Additionally, it could be considered for cleaning or degreasing formulations where nonpolar solvents are appropriate, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	20.32
methanol	42.33
isopropanol	10.58
water	9.69
ethyl acetate	27.14
n-propanol	18.68
acetone	29.58
n-butanol	12.49
acetonitrile	12.89
DMF	86.87
toluene	7.58
isobutanol	10.56
1,4-dioxane	40.39
methyl acetate	29.91
THF	48.44
2-butanone	26.02
n-pentanol	9.57
sec-butanol	11.67
n-hexane	0.36
ethylene glycol	26.76
NMP	271.39
cyclohexane	1.5
DMSO	145.47
n-butyl acetate	9.74
n-octanol	4.78
chloroform	46.66
n-propyl acetate	10.89
acetic acid	222.71
dichloromethane	53.44
cyclohexanone	56.87
propylene glycol	23.29
isopropyl acetate	13.06
DMAc	145.06
2-ethoxyethanol	38.8
isopentanol	7.66
n-heptane	0.59
ethyl formate	26.88
1,2-dichloroethane	30.38
n-hexanol	6.11
2-methoxyethanol	64.41
isobutyl acetate	5.68
tetrachloromethane	11.07
n-pentyl acetate	12.55
transcutol	57.44
n-heptanol	6.4
ethylbenzene	2.73
MIBK	8.39
2-propoxyethanol	27.59
tert-butanol	7.52
MTBE	5.05
2-butoxyethanol	25.13
propionic acid	62.59
o-xylene	6.28
formic acid	179.79
diethyl ether	7.84
m-xylene	4.19
p-xylene	3.34
chlorobenzene	11.11
dimethyl carbonate	36.89
n-octane	0.32
formamide	142.76
cyclopentanone	74.47
2-pentanone	18.61
anisole	6.16
cyclopentyl methyl ether	21.25
gamma-butyrolactone	132.22
1-methoxy-2-propanol	36.68
pyridine	39.54
3-pentanone	18.73
furfural	113.01
n-dodecane	0.24
diethylene glycol	39.68
diisopropyl ether	1.87
tert-amyl alcohol	9.68
acetylacetone	37.6
n-hexadecane	0.26
acetophenone	16.14
methyl propionate	34.89
isopentyl acetate	7.64
trichloroethylene	76.36
n-nonanol	4.93
cyclohexanol	18.4
benzyl alcohol	15.6
2-ethylhexanol	3.81
isooctanol	4.62
dipropyl ether	4.67
1,2-dichlorobenzene	11.96
ethyl lactate	16.73
propylene carbonate	62.36
n-methylformamide	71.12
2-pentanol	7.13
n-pentane	0.63
1-propoxy-2-propanol	16.78
1-methoxy-2-propyl acetate	22.92
2-(2-methoxypropoxy) propanol	19.56
mesitylene	2.19
ε-caprolactone	71.33
p-cymene	2.5
epichlorohydrin	79.36
1,1,1-trichloroethane	20.54
2-aminoethanol	32.51
morpholine-4-carbaldehyde	138.66
sulfolane	233.24
2,2,4-trimethylpentane	0.48
2-methyltetrahydrofuran	31.13
n-hexyl acetate	11.42
isooctane	0.17
2-(2-butoxyethoxy)ethanol	24.61
sec-butyl acetate	7.09
tert-butyl acetate	10.02
decalin	0.66
glycerin	57.59
diglyme	45.98
acrylic acid	95.31
isopropyl myristate	3.38
n-butyric acid	54.2
acetyl acetate	37.21
di(2-ethylhexyl) phthalate	7.82
ethyl propionate	11.96
nitromethane	184.04
1,2-diethoxyethane	11.45
benzonitrile	12.4
trioctyl phosphate	5.81
1-bromopropane	9.24
gamma-valerolactone	143.14
n-decanol	3.25
triethyl phosphate	10.13
4-methyl-2-pentanol	3.21
propionitrile	9.44
vinylene carbonate	65.65
1,1,2-trichlorotrifluoroethane	160.2
DMS	19.4
cumene	1.93
2-octanol	3.39
2-hexanone	9.59
octyl acetate	6.41
limonene	4.23
1,2-dimethoxyethane	27.58
ethyl orthosilicate	7.86
tributyl phosphate	6.04
diacetone alcohol	21.98
N,N-dimethylaniline	6.14
acrylonitrile	19.15
aniline	15.88
1,3-propanediol	36.09
bromobenzene	9.35
dibromomethane	27.16
1,1,2,2-tetrachloroethane	54.25
2-methyl-cyclohexyl acetate	9.31
tetrabutyl urea	9.03
diisobutyl methanol	1.92
2-phenylethanol	10.0
styrene	3.2
dioctyl adipate	9.21
dimethyl sulfate	95.11
ethyl butyrate	10.11
methyl lactate	47.9
butyl lactate	15.92
diethyl carbonate	8.08
propanediol butyl ether	23.46
triethyl orthoformate	9.18
p-tert-butyltoluene	2.34
methyl 4-tert-butylbenzoate	20.1
morpholine	52.94
tert-butylamine	2.91
n-dodecanol	2.13
dimethoxymethane	41.04
ethylene carbonate	49.49
cyrene	48.83
2-ethoxyethyl acetate	25.03
2-ethylhexyl acetate	6.65
1,2,4-trichlorobenzene	20.26
4-methylpyridine	25.15
dibutyl ether	2.94
2,6-dimethyl-4-heptanol	1.92
DEF	39.05
dimethyl isosorbide	34.9
tetrachloroethylene	45.89
eugenol	17.05
triacetin	27.81
span 80	20.0
1,4-butanediol	19.32
1,1-dichloroethane	18.02
2-methyl-1-pentanol	7.23
methyl formate	65.02
2-methyl-1-butanol	10.52
n-decane	0.42
butyronitrile	7.58
3,7-dimethyl-1-octanol	3.37
1-chlorooctane	2.18
1-chlorotetradecane	0.82
n-nonane	0.37
undecane	0.3
tert-butylcyclohexane	0.38
cyclooctane	0.66
cyclopentanol	26.92
tetrahydropyran	22.42
tert-amyl methyl ether	6.78
2,5,8-trioxanonane	31.53
1-hexene	1.3
2-isopropoxyethanol	20.64
2,2,2-trifluoroethanol	154.75
methyl butyrate	15.87

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