Molecular formula
C9H14O2

SMILES
C1CCCOC(=O)C=CCC1

Fragrance
Fruity	79.87%
Sweet	69.28%
Coumarinic	53.11%
Coconut	51.28%
Musk	46.13%
Tobacco	39.98%
Animal	35.9%
Waxy	35.28%
Oily	33.42%
Fatty	32.96%

 

Flavor
Minty	31.03%
Animal	22.53%
Fruity	21.65%
Fatty	21.64%
Buttery	21.15%
Shrimp	20.61%
Spice	20.11%
Maple syrup	19.37%
Coumarin	19.03%
Cotton candy	18.97%

 

Odor impact est.
High

XLogP3-AA
2.5

pKa est.
6.08 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
278°C

Flash point

• 94.51 ˚C est.

2,3,4,5,6,7-Hexahydrooxecin-10-one is primarily encountered as an organic synthesis intermediate, serving as a building block for the preparation of specialty chemicals. It may function as a solvent or co-solvent in various industrial formulations, including coatings, inks, and cleaning products. The compound can also be used as a precursor in polymer or resin synthesis, contributing to specialty plastics and composite materials. In fragrance-related formulations, it may be evaluated for odorant or fixative roles, depending on regulatory allowances. Additionally, it is sometimes explored as a processing aid or stabilizer in niche formulations, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	871.84
methanol	1209.34
isopropanol	646.67
water	0.42
ethyl acetate	610.5
n-propanol	608.35
acetone	1334.0
n-butanol	513.8
acetonitrile	765.74
DMF	1727.02
toluene	293.64
isobutanol	446.73
1,4-dioxane	860.12
methyl acetate	571.95
THF	1290.4
2-butanone	780.71
n-pentanol	357.12
sec-butanol	433.72
n-hexane	55.67
ethylene glycol	196.38
NMP	1355.14
cyclohexane	77.94
DMSO	2564.52
n-butyl acetate	439.54
n-octanol	190.51
chloroform	1848.25
n-propyl acetate	376.96
acetic acid	821.97
dichloromethane	2029.79
cyclohexanone	1084.3
propylene glycol	245.48
isopropyl acetate	340.73
DMAc	769.39
2-ethoxyethanol	411.72
isopentanol	395.48
n-heptane	32.46
ethyl formate	410.81
1,2-dichloroethane	1223.7
n-hexanol	364.67
2-methoxyethanol	790.91
isobutyl acetate	240.1
tetrachloromethane	171.97
n-pentyl acetate	277.79
transcutol	1873.16
n-heptanol	154.23
ethylbenzene	146.65
MIBK	336.01
2-propoxyethanol	549.62
tert-butanol	591.55
MTBE	397.23
2-butoxyethanol	297.12
propionic acid	645.16
o-xylene	177.25
formic acid	206.29
diethyl ether	488.1
m-xylene	214.01
p-xylene	181.13
chlorobenzene	539.62
dimethyl carbonate	208.37
n-octane	16.8
formamide	324.07
cyclopentanone	1429.7
2-pentanone	650.89
anisole	305.13
cyclopentyl methyl ether	565.03
gamma-butyrolactone	1538.46
1-methoxy-2-propanol	638.9
pyridine	977.46
3-pentanone	418.55
furfural	968.55
n-dodecane	17.57
diethylene glycol	460.69
diisopropyl ether	132.53
tert-amyl alcohol	403.56
acetylacetone	677.2
n-hexadecane	20.26
acetophenone	312.68
methyl propionate	505.1
isopentyl acetate	346.03
trichloroethylene	2094.07
n-nonanol	154.5
cyclohexanol	449.48
benzyl alcohol	272.56
2-ethylhexanol	195.26
isooctanol	133.85
dipropyl ether	228.54
1,2-dichlorobenzene	467.06
ethyl lactate	184.63
propylene carbonate	679.97
n-methylformamide	740.07
2-pentanol	322.96
n-pentane	45.08
1-propoxy-2-propanol	392.33
1-methoxy-2-propyl acetate	349.21
2-(2-methoxypropoxy) propanol	321.31
mesitylene	138.7
ε-caprolactone	778.0
p-cymene	96.33
epichlorohydrin	1335.13
1,1,1-trichloroethane	829.47
2-aminoethanol	344.22
morpholine-4-carbaldehyde	889.25
sulfolane	2017.91
2,2,4-trimethylpentane	27.2
2-methyltetrahydrofuran	884.05
n-hexyl acetate	420.79
isooctane	26.08
2-(2-butoxyethoxy)ethanol	487.36
sec-butyl acetate	235.65
tert-butyl acetate	353.26
decalin	44.12
glycerin	321.18
diglyme	790.74
acrylic acid	577.94
isopropyl myristate	142.43
n-butyric acid	755.23
acetyl acetate	331.24
di(2-ethylhexyl) phthalate	146.78
ethyl propionate	305.46
nitromethane	1235.97
1,2-diethoxyethane	455.94
benzonitrile	500.15
trioctyl phosphate	116.03
1-bromopropane	707.47
gamma-valerolactone	1226.39
n-decanol	115.71
triethyl phosphate	124.91
4-methyl-2-pentanol	176.54
propionitrile	577.59
vinylene carbonate	590.54
1,1,2-trichlorotrifluoroethane	743.36
DMS	305.91
cumene	104.66
2-octanol	121.07
2-hexanone	420.42
octyl acetate	195.72
limonene	143.44
1,2-dimethoxyethane	661.06
ethyl orthosilicate	115.88
tributyl phosphate	142.73
diacetone alcohol	418.59
N,N-dimethylaniline	202.04
acrylonitrile	842.57
aniline	396.98
1,3-propanediol	436.91
bromobenzene	617.66
dibromomethane	1329.77
1,1,2,2-tetrachloroethane	1480.55
2-methyl-cyclohexyl acetate	214.88
tetrabutyl urea	191.4
diisobutyl methanol	120.63
2-phenylethanol	256.66
styrene	223.43
dioctyl adipate	217.92
dimethyl sulfate	404.04
ethyl butyrate	270.44
methyl lactate	272.13
butyl lactate	233.81
diethyl carbonate	179.74
propanediol butyl ether	384.54
triethyl orthoformate	167.63
p-tert-butyltoluene	91.43
methyl 4-tert-butylbenzoate	284.9
morpholine	1001.33
tert-butylamine	345.57
n-dodecanol	90.28
dimethoxymethane	631.46
ethylene carbonate	459.84
cyrene	286.0
2-ethoxyethyl acetate	363.37
2-ethylhexyl acetate	254.0
1,2,4-trichlorobenzene	507.58
4-methylpyridine	802.56
dibutyl ether	232.57
2,6-dimethyl-4-heptanol	120.63
DEF	683.29
dimethyl isosorbide	494.84
tetrachloroethylene	877.17
eugenol	291.03
triacetin	366.22
span 80	305.08
1,4-butanediol	189.66
1,1-dichloroethane	1134.38
2-methyl-1-pentanol	284.52
methyl formate	499.54
2-methyl-1-butanol	362.42
n-decane	27.74
butyronitrile	590.34
3,7-dimethyl-1-octanol	177.94
1-chlorooctane	143.96
1-chlorotetradecane	55.84
n-nonane	27.67
undecane	21.3
tert-butylcyclohexane	41.48
cyclooctane	24.55
cyclopentanol	593.96
tetrahydropyran	946.79
tert-amyl methyl ether	258.72
2,5,8-trioxanonane	531.84
1-hexene	237.65
2-isopropoxyethanol	303.38
2,2,2-trifluoroethanol	205.71
methyl butyrate	449.6

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