Molecular formula
C13H22O2

SMILES
CCC/C=C/COC(=O)CC1CCCC1

Fragrance
Fruity	82.44%
Green	58.05%
Waxy	50.15%
Pineapple	50.13%
Pear	49.21%
Tropical	43.29%
Fatty	41.66%
Apple	41.61%
Peach	36.92%
Oily	30.44%

 

Flavor
Green	62.79%
Fruity	55.06%
Waxy	51.27%
Tropical	38.61%
Fatty	35.96%
Oily	35.72%
Pear	34.02%
Fresh	30.99%
Apple	30.79%
Melon	28.1%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
7.33 (neutral)

Molecular weight
210.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
279°C

Flash point

• 122.48 ˚C est.

• SCHEMBL3505434

CID 6366719 is typically considered an organic synthesis intermediate, potentially functioning as a solvent or reaction participant in industrial production; it may be used as a processing aid or additive in the polymer/plastics sector; it is applicable in coatings and inks as a binder, dispersant, or processing additive; it may serve as a fragrance ingredient or fixative in cosmetics and personal care formulations; and it could be evaluated for cleaning products or as an industrial solvent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3157.63
methanol	2779.72
isopropanol	2684.86
water	0.16
ethyl acetate	2628.98
n-propanol	2308.84
acetone	3614.79
n-butanol	2329.24
acetonitrile	2070.71
DMF	2845.73
toluene	1071.38
isobutanol	1946.51
1,4-dioxane	2837.28
methyl acetate	1724.84
THF	4291.59
2-butanone	2507.7
n-pentanol	1368.1
sec-butanol	2081.53
n-hexane	317.22
ethylene glycol	231.15
NMP	1808.41
cyclohexane	613.95
DMSO	2859.99
n-butyl acetate	1793.06
n-octanol	508.5
chloroform	5348.66
n-propyl acetate	1378.93
acetic acid	1767.83
dichloromethane	4765.56
cyclohexanone	3319.15
propylene glycol	598.07
isopropyl acetate	1721.34
DMAc	1828.46
2-ethoxyethanol	1246.85
isopentanol	1993.76
n-heptane	130.8
ethyl formate	1180.33
1,2-dichloroethane	3448.45
n-hexanol	1434.64
2-methoxyethanol	2222.95
isobutyl acetate	896.33
tetrachloromethane	598.76
n-pentyl acetate	873.82
transcutol	4395.67
n-heptanol	502.95
ethylbenzene	538.27
MIBK	1315.84
2-propoxyethanol	1776.59
tert-butanol	2698.12
MTBE	2493.13
2-butoxyethanol	889.63
propionic acid	1314.37
o-xylene	551.56
formic acid	338.44
diethyl ether	2492.59
m-xylene	663.32
p-xylene	701.89
chlorobenzene	1616.99
dimethyl carbonate	497.37
n-octane	57.74
formamide	551.97
cyclopentanone	2945.68
2-pentanone	2260.71
anisole	1080.38
cyclopentyl methyl ether	1887.2
gamma-butyrolactone	2580.17
1-methoxy-2-propanol	1923.49
pyridine	2757.0
3-pentanone	1346.75
furfural	1981.54
n-dodecane	48.59
diethylene glycol	1039.92
diisopropyl ether	734.2
tert-amyl alcohol	1931.86
acetylacetone	2028.05
n-hexadecane	57.91
acetophenone	936.6
methyl propionate	1432.84
isopentyl acetate	1580.46
trichloroethylene	5285.45
n-nonanol	439.02
cyclohexanol	2006.49
benzyl alcohol	850.36
2-ethylhexanol	762.57
isooctanol	445.28
dipropyl ether	891.11
1,2-dichlorobenzene	1296.01
ethyl lactate	506.69
propylene carbonate	1614.31
n-methylformamide	1159.7
2-pentanol	1660.12
n-pentane	265.49
1-propoxy-2-propanol	1343.19
1-methoxy-2-propyl acetate	1320.44
2-(2-methoxypropoxy) propanol	861.31
mesitylene	425.62
ε-caprolactone	2340.72
p-cymene	293.96
epichlorohydrin	3426.83
1,1,1-trichloroethane	2835.98
2-aminoethanol	747.54
morpholine-4-carbaldehyde	1787.33
sulfolane	2521.21
2,2,4-trimethylpentane	126.21
2-methyltetrahydrofuran	3287.34
n-hexyl acetate	1230.35
isooctane	117.78
2-(2-butoxyethoxy)ethanol	1260.06
sec-butyl acetate	1009.12
tert-butyl acetate	1529.45
decalin	214.47
glycerin	568.48
diglyme	2133.52
acrylic acid	934.4
isopropyl myristate	414.2
n-butyric acid	2730.24
acetyl acetate	1239.29
di(2-ethylhexyl) phthalate	365.85
ethyl propionate	1118.58
nitromethane	2301.02
1,2-diethoxyethane	1576.59
benzonitrile	1315.63
trioctyl phosphate	260.47
1-bromopropane	2299.64
gamma-valerolactone	2937.45
n-decanol	310.09
triethyl phosphate	346.74
4-methyl-2-pentanol	837.83
propionitrile	1689.67
vinylene carbonate	1380.88
1,1,2-trichlorotrifluoroethane	1814.28
DMS	808.72
cumene	365.53
2-octanol	384.69
2-hexanone	1427.87
octyl acetate	516.22
limonene	506.04
1,2-dimethoxyethane	2273.6
ethyl orthosilicate	350.47
tributyl phosphate	345.8
diacetone alcohol	1409.93
N,N-dimethylaniline	625.74
acrylonitrile	1627.88
aniline	1254.44
1,3-propanediol	1333.84
bromobenzene	1831.2
dibromomethane	3418.55
1,1,2,2-tetrachloroethane	4404.15
2-methyl-cyclohexyl acetate	714.82
tetrabutyl urea	424.82
diisobutyl methanol	442.24
2-phenylethanol	869.09
styrene	773.37
dioctyl adipate	571.04
dimethyl sulfate	618.94
ethyl butyrate	1001.49
methyl lactate	651.37
butyl lactate	656.74
diethyl carbonate	628.96
propanediol butyl ether	891.62
triethyl orthoformate	597.55
p-tert-butyltoluene	286.69
methyl 4-tert-butylbenzoate	686.1
morpholine	3852.54
tert-butylamine	1713.18
n-dodecanol	231.06
dimethoxymethane	1638.73
ethylene carbonate	1298.23
cyrene	610.21
2-ethoxyethyl acetate	1102.97
2-ethylhexyl acetate	1093.55
1,2,4-trichlorobenzene	1474.0
4-methylpyridine	2607.48
dibutyl ether	857.97
2,6-dimethyl-4-heptanol	442.24
DEF	1826.05
dimethyl isosorbide	1166.39
tetrachloroethylene	2479.69
eugenol	709.94
triacetin	916.43
span 80	810.3
1,4-butanediol	487.13
1,1-dichloroethane	3689.49
2-methyl-1-pentanol	1188.47
methyl formate	796.06
2-methyl-1-butanol	1694.6
n-decane	84.73
butyronitrile	2312.75
3,7-dimethyl-1-octanol	613.03
1-chlorooctane	414.08
1-chlorotetradecane	157.48
n-nonane	85.18
undecane	61.38
tert-butylcyclohexane	177.6
cyclooctane	145.1
cyclopentanol	1734.71
tetrahydropyran	4120.85
tert-amyl methyl ether	1307.42
2,5,8-trioxanonane	1346.96
1-hexene	1209.14
2-isopropoxyethanol	997.54
2,2,2-trifluoroethanol	411.67
methyl butyrate	1638.56

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