Molecular formula
C9H18O2

SMILES
CCCCC1COCC(O1)C

Fragrance
Sweet	48.84%
Fresh	46.09%
Green	43.59%
Fatty	40.53%
Ethereal	38.52%
Solvent	37.09%
Fruity	33.68%
Fermented	32.93%
Musty	30.52%
Oily	29.34%

 

Flavor
Green	47.58%
Sweet	39.54%
Caramel	37.69%
Herbal	35.68%
Vegetable	33.74%
Earthy	29.51%
Minty	29.29%
Burnt	27.28%
Oily	26.22%
Roasted	25.94%

 

Odor impact est.
High

XLogP3-AA
2.0

pKa est.
6.42 (neutral)

Molecular weight
158.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
200°C

Flash point

• 58.85 ˚C est.

• SCHEMBL11615059

2-Butyl-6-methyl-1,4-dioxane is typically considered an intermediate and processing aid in industrial chemistry. It may function as a specialty solvent or co-solvent in organic synthesis and large-scale production; as an intermediate in the synthesis of fragrance-related compounds and odor-active ingredients for perfumery; as a solvent or processing aid in coatings, inks, and adhesives formulations; and as a precursor or solvent component in polymer and plastics technology. It may also be evaluated for cleaning formulations where the cyclic acetal structure offers advantages, depending on local regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2417.87
methanol	2423.67
isopropanol	1646.56
water	3.35
ethyl acetate	1444.61
n-propanol	1756.36
acetone	1243.27
n-butanol	1662.94
acetonitrile	1305.95
DMF	741.7
toluene	682.1
isobutanol	1184.2
1,4-dioxane	2274.61
methyl acetate	981.52
THF	2199.45
2-butanone	1009.71
n-pentanol	1034.99
sec-butanol	1297.37
n-hexane	349.82
ethylene glycol	388.07
NMP	719.35
cyclohexane	808.48
DMSO	1172.19
n-butyl acetate	1563.54
n-octanol	533.13
chloroform	5025.33
n-propyl acetate	784.18
acetic acid	2368.95
dichloromethane	3629.74
cyclohexanone	1646.13
propylene glycol	481.25
isopropyl acetate	866.11
DMAc	592.7
2-ethoxyethanol	1174.59
isopentanol	1253.33
n-heptane	333.36
ethyl formate	944.06
1,2-dichloroethane	1697.59
n-hexanol	1500.98
2-methoxyethanol	1652.6
isobutyl acetate	530.72
tetrachloromethane	969.61
n-pentyl acetate	684.06
transcutol	2720.41
n-heptanol	494.94
ethylbenzene	314.84
MIBK	502.82
2-propoxyethanol	1536.96
tert-butanol	1647.49
MTBE	1218.57
2-butoxyethanol	727.02
propionic acid	1242.97
o-xylene	385.13
formic acid	601.8
diethyl ether	1573.83
m-xylene	409.3
p-xylene	421.96
chlorobenzene	1069.11
dimethyl carbonate	216.46
n-octane	97.13
formamide	494.74
cyclopentanone	1224.06
2-pentanone	885.31
anisole	552.94
cyclopentyl methyl ether	1169.84
gamma-butyrolactone	1426.06
1-methoxy-2-propanol	1071.31
pyridine	1657.93
3-pentanone	603.82
furfural	1325.72
n-dodecane	73.44
diethylene glycol	1007.6
diisopropyl ether	425.75
tert-amyl alcohol	1160.57
acetylacetone	766.11
n-hexadecane	82.24
acetophenone	470.13
methyl propionate	687.99
isopentyl acetate	1070.48
trichloroethylene	3120.51
n-nonanol	440.48
cyclohexanol	1498.96
benzyl alcohol	570.03
2-ethylhexanol	810.2
isooctanol	380.71
dipropyl ether	945.07
1,2-dichlorobenzene	849.43
ethyl lactate	327.01
propylene carbonate	1052.3
n-methylformamide	599.62
2-pentanol	1021.88
n-pentane	402.6
1-propoxy-2-propanol	1115.72
1-methoxy-2-propyl acetate	791.74
2-(2-methoxypropoxy) propanol	545.54
mesitylene	274.49
ε-caprolactone	1536.92
p-cymene	299.37
epichlorohydrin	1662.38
1,1,1-trichloroethane	1975.47
2-aminoethanol	739.06
morpholine-4-carbaldehyde	1074.48
sulfolane	1198.57
2,2,4-trimethylpentane	154.05
2-methyltetrahydrofuran	1867.19
n-hexyl acetate	837.76
isooctane	110.85
2-(2-butoxyethoxy)ethanol	786.92
sec-butyl acetate	546.0
tert-butyl acetate	669.12
decalin	199.93
glycerin	573.5
diglyme	1396.49
acrylic acid	959.59
isopropyl myristate	307.07
n-butyric acid	2182.42
acetyl acetate	998.62
di(2-ethylhexyl) phthalate	275.99
ethyl propionate	569.74
nitromethane	1548.59
1,2-diethoxyethane	1213.69
benzonitrile	946.18
trioctyl phosphate	206.96
1-bromopropane	1453.17
gamma-valerolactone	1540.26
n-decanol	297.73
triethyl phosphate	281.74
4-methyl-2-pentanol	502.21
propionitrile	1126.07
vinylene carbonate	982.56
1,1,2-trichlorotrifluoroethane	1389.75
DMS	430.98
cumene	221.76
2-octanol	339.7
2-hexanone	699.64
octyl acetate	368.88
limonene	518.89
1,2-dimethoxyethane	1551.55
ethyl orthosilicate	301.64
tributyl phosphate	278.92
diacetone alcohol	594.68
N,N-dimethylaniline	328.87
acrylonitrile	1052.11
aniline	870.75
1,3-propanediol	1133.53
bromobenzene	1117.72
dibromomethane	2571.06
1,1,2,2-tetrachloroethane	2384.23
2-methyl-cyclohexyl acetate	526.16
tetrabutyl urea	297.12
diisobutyl methanol	393.96
2-phenylethanol	665.9
styrene	447.41
dioctyl adipate	427.4
dimethyl sulfate	280.43
ethyl butyrate	834.18
methyl lactate	333.27
butyl lactate	435.12
diethyl carbonate	465.23
propanediol butyl ether	624.49
triethyl orthoformate	550.7
p-tert-butyltoluene	276.52
methyl 4-tert-butylbenzoate	406.48
morpholine	2259.4
tert-butylamine	1183.23
n-dodecanol	226.19
dimethoxymethane	685.32
ethylene carbonate	959.14
cyrene	376.58
2-ethoxyethyl acetate	715.38
2-ethylhexyl acetate	853.04
1,2,4-trichlorobenzene	945.66
4-methylpyridine	1400.29
dibutyl ether	766.26
2,6-dimethyl-4-heptanol	393.96
DEF	877.44
dimethyl isosorbide	725.77
tetrachloroethylene	1955.45
eugenol	386.57
triacetin	630.59
span 80	566.27
1,4-butanediol	482.7
1,1-dichloroethane	2106.95
2-methyl-1-pentanol	805.64
methyl formate	469.79
2-methyl-1-butanol	1134.23
n-decane	129.48
butyronitrile	1467.07
3,7-dimethyl-1-octanol	508.43
1-chlorooctane	386.1
1-chlorotetradecane	152.08
n-nonane	138.3
undecane	91.03
tert-butylcyclohexane	175.0
cyclooctane	222.94
cyclopentanol	1243.61
tetrahydropyran	2465.85
tert-amyl methyl ether	768.18
2,5,8-trioxanonane	850.64
1-hexene	847.62
2-isopropoxyethanol	777.54
2,2,2-trifluoroethanol	535.41
methyl butyrate	836.71

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