Molecular formula
C7H14O2

SMILES
CC1OCCCCCO1

Fragrance
Sweet	72.92%
Ethereal	72.0%
Fruity	69.85%
Green	52.84%
Rummy	36.71%
Solvent	36.23%
Fermented	32.74%
Woody	32.59%
Alcoholic	31.5%
Musty	31.06%

 

Flavor
Vegetable	34.7%
Green	32.67%
Sweet	30.53%
Caramel	30.1%
Earthy	26.73%
Cauliflower	22.72%
Roasted	21.94%
Warm	21.76%
Musty	21.14%
Shrimp	20.78%

 

Odor impact est.
High

XLogP3-AA
1.3

pKa est.
7.75 (neutral)

Molecular weight
130.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
148°C

Flash point

• 30.86 ˚C est.

• 2-methyl-1,3-dioxocane
• SCHEMBL10239392

For 2-Methyl-1,3-dioxocane, this cyclic acetal is primarily used as an organic synthesis intermediate and a carbonyl-protecting group in multi-step routes, enabling selective transformations. In specialty chemical manufacturing, it may function as a solvent or processing aid due to its stable cyclic acetal structure. It can act as a building block or precursor for specialty polymers and resins, including acetals used in coatings and adhesives. In coatings and inks, it may be employed as a reactive diluent or additive to adjust viscosity and film-forming behavior. It also can be considered for cleaning formulations where its solvency properties are advantageous. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1019.38
methanol	1444.84
isopropanol	728.9
water	7.15
ethyl acetate	738.58
n-propanol	791.43
acetone	950.9
n-butanol	698.1
acetonitrile	1199.11
DMF	1001.75
toluene	444.08
isobutanol	565.52
1,4-dioxane	1123.86
methyl acetate	670.22
THF	1502.08
2-butanone	775.96
n-pentanol	472.62
sec-butanol	660.92
n-hexane	234.5
ethylene glycol	278.77
NMP	1192.34
cyclohexane	311.75
DMSO	1466.78
n-butyl acetate	546.74
n-octanol	281.2
chloroform	3249.64
n-propyl acetate	464.09
acetic acid	1245.59
dichloromethane	3022.31
cyclohexanone	1221.52
propylene glycol	298.35
isopropyl acetate	438.87
DMAc	766.17
2-ethoxyethanol	615.84
isopentanol	516.66
n-heptane	172.97
ethyl formate	493.2
1,2-dichloroethane	1388.55
n-hexanol	487.94
2-methoxyethanol	954.43
isobutyl acetate	302.43
tetrachloromethane	741.96
n-pentyl acetate	397.48
transcutol	1472.71
n-heptanol	247.67
ethylbenzene	206.74
MIBK	351.05
2-propoxyethanol	700.29
tert-butanol	741.07
MTBE	581.33
2-butoxyethanol	397.17
propionic acid	851.91
o-xylene	287.31
formic acid	432.39
diethyl ether	797.53
m-xylene	285.13
p-xylene	302.44
chlorobenzene	756.19
dimethyl carbonate	200.38
n-octane	66.41
formamide	470.31
cyclopentanone	1324.1
2-pentanone	629.16
anisole	402.36
cyclopentyl methyl ether	791.34
gamma-butyrolactone	1484.56
1-methoxy-2-propanol	699.06
pyridine	1146.19
3-pentanone	523.71
furfural	1192.1
n-dodecane	50.43
diethylene glycol	504.39
diisopropyl ether	229.51
tert-amyl alcohol	611.01
acetylacetone	625.1
n-hexadecane	56.42
acetophenone	375.38
methyl propionate	529.58
isopentyl acetate	397.11
trichloroethylene	2246.59
n-nonanol	236.12
cyclohexanol	723.97
benzyl alcohol	358.52
2-ethylhexanol	285.11
isooctanol	208.39
dipropyl ether	463.04
1,2-dichlorobenzene	640.09
ethyl lactate	228.34
propylene carbonate	727.97
n-methylformamide	669.44
2-pentanol	482.44
n-pentane	214.63
1-propoxy-2-propanol	492.29
1-methoxy-2-propyl acetate	400.48
2-(2-methoxypropoxy) propanol	321.97
mesitylene	198.22
ε-caprolactone	992.13
p-cymene	177.77
epichlorohydrin	1239.57
1,1,1-trichloroethane	1333.28
2-aminoethanol	499.66
morpholine-4-carbaldehyde	965.59
sulfolane	1609.8
2,2,4-trimethylpentane	99.08
2-methyltetrahydrofuran	1226.2
n-hexyl acetate	503.92
isooctane	62.45
2-(2-butoxyethoxy)ethanol	452.75
sec-butyl acetate	298.22
tert-butyl acetate	403.79
decalin	124.28
glycerin	435.42
diglyme	838.85
acrylic acid	753.27
isopropyl myristate	199.54
n-butyric acid	930.79
acetyl acetate	524.24
di(2-ethylhexyl) phthalate	176.96
ethyl propionate	372.66
nitromethane	1355.38
1,2-diethoxyethane	563.29
benzonitrile	643.93
trioctyl phosphate	141.14
1-bromopropane	967.28
gamma-valerolactone	1285.94
n-decanol	170.84
triethyl phosphate	192.3
4-methyl-2-pentanol	232.28
propionitrile	908.27
vinylene carbonate	672.76
1,1,2-trichlorotrifluoroethane	986.22
DMS	340.49
cumene	162.67
2-octanol	196.36
2-hexanone	454.22
octyl acetate	238.48
limonene	277.64
1,2-dimethoxyethane	852.64
ethyl orthosilicate	183.74
tributyl phosphate	186.72
diacetone alcohol	416.76
N,N-dimethylaniline	282.12
acrylonitrile	980.65
aniline	566.54
1,3-propanediol	565.99
bromobenzene	863.2
dibromomethane	2133.92
1,1,2,2-tetrachloroethane	1776.16
2-methyl-cyclohexyl acetate	289.03
tetrabutyl urea	210.94
diisobutyl methanol	188.69
2-phenylethanol	315.91
styrene	304.24
dioctyl adipate	272.38
dimethyl sulfate	365.2
ethyl butyrate	391.18
methyl lactate	287.92
butyl lactate	283.01
diethyl carbonate	257.95
propanediol butyl ether	364.35
triethyl orthoformate	263.68
p-tert-butyltoluene	170.29
methyl 4-tert-butylbenzoate	322.25
morpholine	1167.43
tert-butylamine	555.01
n-dodecanol	134.03
dimethoxymethane	596.37
ethylene carbonate	573.13
cyrene	328.73
2-ethoxyethyl acetate	409.96
2-ethylhexyl acetate	320.26
1,2,4-trichlorobenzene	752.34
4-methylpyridine	993.47
dibutyl ether	417.56
2,6-dimethyl-4-heptanol	188.69
DEF	718.36
dimethyl isosorbide	523.07
tetrachloroethylene	1335.54
eugenol	302.07
triacetin	438.33
span 80	343.78
1,4-butanediol	266.74
1,1-dichloroethane	1467.53
2-methyl-1-pentanol	382.29
methyl formate	451.28
2-methyl-1-butanol	536.46
n-decane	86.2
butyronitrile	824.94
3,7-dimethyl-1-octanol	274.78
1-chlorooctane	259.43
1-chlorotetradecane	104.77
n-nonane	92.18
undecane	62.19
tert-butylcyclohexane	118.27
cyclooctane	109.31
cyclopentanol	823.2
tetrahydropyran	1194.5
tert-amyl methyl ether	445.57
2,5,8-trioxanonane	540.76
1-hexene	483.51
2-isopropoxyethanol	417.94
2,2,2-trifluoroethanol	403.59
methyl butyrate	511.8

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