Molecular formula
C9H16O3

SMILES
CCCCCC1C(=O)OCCO1

Fragrance
Fruity	79.33%
Caramellic	60.9%
Sweet	59.36%
Buttery	54.88%
Fatty	53.44%
Peach	47.97%
Lactonic	44.52%
Creamy	44.24%
Green	40.81%
Coconut	40.36%

 

Flavor
Sweet	72.92%
Coconut	72.4%
Creamy	68.37%
Fatty	62.99%
Peach	59.1%
Waxy	57.85%
Oily	56.01%
Fruity	49.89%
Buttery	48.18%
Dairy	45.09%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
6.57 (neutral)

Molecular weight
172.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
257°C

Flash point

• 96.66 ˚C est.

Chemical name: 3-Pentyl-1,4-dioxan-2-one (CAS number: ) is a cyclic carbonate used as a synthetic building block and a potential precursor for a range of industrial applications. In polymers/plastics, it is commonly evaluated as a monomer or comonomer for ring-opening polymerization to yield aliphatic polycarbonates with tunable properties. In industrial manufacturing, it serves as an intermediate in organic synthesis for specialty chemicals and functional materials. It can function as a solvent or co-solvent in niche formulations, and may act as a processing aid or plasticizer in polymer and coating systems. It is also studied as a precursor for coatings and adhesives formulations, where the carbonate ring can contribute to material performance.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1489.73
methanol	2456.65
isopropanol	801.03
water	0.76
ethyl acetate	1974.98
n-propanol	894.66
acetone	2867.55
n-butanol	880.61
acetonitrile	1843.47
DMF	2224.27
toluene	553.14
isobutanol	644.46
1,4-dioxane	1455.65
methyl acetate	1304.13
THF	1631.57
2-butanone	1404.98
n-pentanol	503.09
sec-butanol	596.12
n-hexane	39.75
ethylene glycol	313.14
NMP	1627.38
cyclohexane	133.74
DMSO	4380.85
n-butyl acetate	1091.25
n-octanol	168.79
chloroform	3711.24
n-propyl acetate	878.44
acetic acid	2805.39
dichloromethane	4255.54
cyclohexanone	2207.75
propylene glycol	296.26
isopropyl acetate	897.4
DMAc	1173.22
2-ethoxyethanol	879.63
isopentanol	763.86
n-heptane	22.66
ethyl formate	1160.31
1,2-dichloroethane	3033.45
n-hexanol	465.74
2-methoxyethanol	1796.82
isobutyl acetate	417.76
tetrachloromethane	406.94
n-pentyl acetate	478.36
transcutol	4225.38
n-heptanol	154.14
ethylbenzene	232.05
MIBK	624.89
2-propoxyethanol	823.52
tert-butanol	1042.61
MTBE	764.15
2-butoxyethanol	408.81
propionic acid	1185.8
o-xylene	317.2
formic acid	952.67
diethyl ether	982.36
m-xylene	360.78
p-xylene	315.78
chlorobenzene	1250.72
dimethyl carbonate	407.16
n-octane	10.32
formamide	1493.93
cyclopentanone	2115.71
2-pentanone	1277.02
anisole	530.89
cyclopentyl methyl ether	874.21
gamma-butyrolactone	2675.52
1-methoxy-2-propanol	1094.68
pyridine	2053.04
3-pentanone	799.54
furfural	2325.14
n-dodecane	10.33
diethylene glycol	773.54
diisopropyl ether	221.04
tert-amyl alcohol	735.8
acetylacetone	1567.57
n-hexadecane	12.6
acetophenone	617.2
methyl propionate	1096.61
isopentyl acetate	801.37
trichloroethylene	5569.96
n-nonanol	144.53
cyclohexanol	874.67
benzyl alcohol	580.95
2-ethylhexanol	266.65
isooctanol	135.36
dipropyl ether	274.12
1,2-dichlorobenzene	1053.62
ethyl lactate	286.03
propylene carbonate	1257.79
n-methylformamide	1512.49
2-pentanol	509.04
n-pentane	44.99
1-propoxy-2-propanol	589.47
1-methoxy-2-propyl acetate	758.84
2-(2-methoxypropoxy) propanol	478.97
mesitylene	215.95
ε-caprolactone	1734.45
p-cymene	152.12
epichlorohydrin	2841.03
1,1,1-trichloroethane	1959.69
2-aminoethanol	552.48
morpholine-4-carbaldehyde	1533.32
sulfolane	2891.12
2,2,4-trimethylpentane	33.14
2-methyltetrahydrofuran	1233.89
n-hexyl acetate	619.17
isooctane	26.6
2-(2-butoxyethoxy)ethanol	740.97
sec-butyl acetate	503.52
tert-butyl acetate	760.96
decalin	58.22
glycerin	473.05
diglyme	1453.99
acrylic acid	1177.46
isopropyl myristate	184.48
n-butyric acid	1870.74
acetyl acetate	1209.11
di(2-ethylhexyl) phthalate	199.56
ethyl propionate	685.1
nitromethane	4197.33
1,2-diethoxyethane	987.27
benzonitrile	1057.27
trioctyl phosphate	132.09
1-bromopropane	1097.74
gamma-valerolactone	2350.55
n-decanol	101.83
triethyl phosphate	216.95
4-methyl-2-pentanol	267.08
propionitrile	1087.38
vinylene carbonate	1259.79
1,1,2-trichlorotrifluoroethane	2013.37
DMS	595.18
cumene	150.05
2-octanol	113.41
2-hexanone	675.38
octyl acetate	235.92
limonene	238.84
1,2-dimethoxyethane	1278.74
ethyl orthosilicate	203.49
tributyl phosphate	214.0
diacetone alcohol	749.5
N,N-dimethylaniline	299.58
acrylonitrile	1701.69
aniline	884.88
1,3-propanediol	911.84
bromobenzene	1359.4
dibromomethane	2508.32
1,1,2,2-tetrachloroethane	3631.16
2-methyl-cyclohexyl acetate	356.09
tetrabutyl urea	263.34
diisobutyl methanol	163.04
2-phenylethanol	489.34
styrene	374.43
dioctyl adipate	306.87
dimethyl sulfate	672.13
ethyl butyrate	557.37
methyl lactate	448.78
butyl lactate	397.43
diethyl carbonate	386.99
propanediol butyl ether	505.68
triethyl orthoformate	322.27
p-tert-butyltoluene	137.36
methyl 4-tert-butylbenzoate	383.94
morpholine	1818.4
tert-butylamine	533.02
n-dodecanol	75.37
dimethoxymethane	960.28
ethylene carbonate	1033.6
cyrene	407.89
2-ethoxyethyl acetate	774.36
2-ethylhexyl acetate	564.35
1,2,4-trichlorobenzene	1188.82
4-methylpyridine	1757.57
dibutyl ether	299.37
2,6-dimethyl-4-heptanol	163.04
DEF	1354.46
dimethyl isosorbide	763.02
tetrachloroethylene	2332.49
eugenol	406.02
triacetin	604.45
span 80	401.09
1,4-butanediol	310.25
1,1-dichloroethane	2343.0
2-methyl-1-pentanol	477.18
methyl formate	1132.74
2-methyl-1-butanol	675.18
n-decane	17.52
butyronitrile	1174.35
3,7-dimethyl-1-octanol	224.81
1-chlorooctane	134.09
1-chlorotetradecane	48.84
n-nonane	16.5
undecane	12.9
tert-butylcyclohexane	44.05
cyclooctane	34.29
cyclopentanol	756.61
tetrahydropyran	1422.52
tert-amyl methyl ether	471.51
2,5,8-trioxanonane	871.54
1-hexene	217.32
2-isopropoxyethanol	537.9
2,2,2-trifluoroethanol	690.34
methyl butyrate	1021.07

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