Molecular formula
C11H18O3

SMILES
CCCC1C(CCC1=O)CC(=O)OC

Safety labels

Fragrance
Floral	74.53%
Jasmin	63.79%
Fruity	60.6%
Green	54.5%
Fresh	41.34%
Sweet	37.94%
Herbal	37.83%
Woody	37.13%
Oily	35.45%
Lactonic	34.41%

 

Flavor
Floral	58.29%
Tropical	45.66%
Fruity	45.41%
Green	42.64%
Oily	42.08%
Fresh	38.68%
Waxy	34.11%
Sweet	29.04%
Jasmin	28.54%
Minty	28.45%

 

Odor impact est.
Medium

XLogP3-AA
1.6

pKa est.
8.03 (weak base)

Molecular weight
198.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
272°C

Flash point

• 121.99 ˚C est.

• 42186-33-4

Cyclopentaneacetic acid, 3-oxo-2-propyl-, methyl ester is primarily used as an organic synthesis intermediate and building block for cyclic ketone and ester derivatives, supporting pharmaceutical and agrochemical development. It can serve as an aroma intermediate or precursor in the fragrance and flavor industries. In cosmetics and personal care, it may act as a precursor in formulation work or as a specialty ester building block for beauty products. In polymer and materials science, it may be evaluated as a building block or modifier for polymers with ester or ketone functionalities, enabling specialty material formulations. It is also employed in research and development to synthesize derivatives and as a reference material in process chemistry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1094.62
methanol	2146.9
isopropanol	911.47
water	3.07
ethyl acetate	884.84
n-propanol	769.11
acetone	2046.84
n-butanol	628.29
acetonitrile	1538.04
DMF	2355.59
toluene	407.98
isobutanol	579.04
1,4-dioxane	1308.85
methyl acetate	888.52
THF	1700.85
2-butanone	1142.39
n-pentanol	367.85
sec-butanol	581.6
n-hexane	8.99
ethylene glycol	342.97
NMP	1583.49
cyclohexane	23.1
DMSO	2895.61
n-butyl acetate	440.97
n-octanol	105.59
chloroform	3109.46
n-propyl acetate	469.82
acetic acid	1659.7
dichloromethane	2703.14
cyclohexanone	1406.67
propylene glycol	417.29
isopropyl acetate	553.74
DMAc	1286.45
2-ethoxyethanol	732.73
isopentanol	608.84
n-heptane	3.18
ethyl formate	733.9
1,2-dichloroethane	1554.83
n-hexanol	257.35
2-methoxyethanol	1451.24
isobutyl acetate	289.48
tetrachloromethane	268.26
n-pentyl acetate	248.11
transcutol	2181.2
n-heptanol	105.86
ethylbenzene	185.49
MIBK	469.93
2-propoxyethanol	577.01
tert-butanol	921.55
MTBE	585.94
2-butoxyethanol	314.11
propionic acid	907.51
o-xylene	234.45
formic acid	888.91
diethyl ether	441.95
m-xylene	262.41
p-xylene	238.24
chlorobenzene	806.53
dimethyl carbonate	350.29
n-octane	2.13
formamide	1346.82
cyclopentanone	1816.22
2-pentanone	816.43
anisole	496.06
cyclopentyl methyl ether	592.59
gamma-butyrolactone	2112.14
1-methoxy-2-propanol	939.57
pyridine	1410.81
3-pentanone	489.8
furfural	1837.27
n-dodecane	2.82
diethylene glycol	568.49
diisopropyl ether	104.07
tert-amyl alcohol	608.34
acetylacetone	1020.01
n-hexadecane	3.46
acetophenone	525.49
methyl propionate	645.99
isopentyl acetate	403.34
trichloroethylene	3328.56
n-nonanol	88.64
cyclohexanol	518.46
benzyl alcohol	503.01
2-ethylhexanol	132.68
isooctanol	94.38
dipropyl ether	97.92
1,2-dichlorobenzene	668.74
ethyl lactate	241.54
propylene carbonate	1012.34
n-methylformamide	1571.26
2-pentanol	337.9
n-pentane	8.58
1-propoxy-2-propanol	343.38
1-methoxy-2-propyl acetate	433.47
2-(2-methoxypropoxy) propanol	321.94
mesitylene	132.22
ε-caprolactone	1139.07
p-cymene	76.12
epichlorohydrin	2153.64
1,1,1-trichloroethane	1254.61
2-aminoethanol	605.24
morpholine-4-carbaldehyde	1352.25
sulfolane	2212.65
2,2,4-trimethylpentane	12.36
2-methyltetrahydrofuran	1103.1
n-hexyl acetate	353.63
isooctane	10.18
2-(2-butoxyethoxy)ethanol	466.74
sec-butyl acetate	315.8
tert-butyl acetate	518.27
decalin	20.97
glycerin	597.08
diglyme	922.61
acrylic acid	971.07
isopropyl myristate	97.74
n-butyric acid	1136.35
acetyl acetate	624.76
di(2-ethylhexyl) phthalate	143.5
ethyl propionate	368.31
nitromethane	2886.77
1,2-diethoxyethane	365.57
benzonitrile	740.14
trioctyl phosphate	83.66
1-bromopropane	513.68
gamma-valerolactone	1950.4
n-decanol	60.1
triethyl phosphate	124.18
4-methyl-2-pentanol	200.11
propionitrile	799.19
vinylene carbonate	989.48
1,1,2-trichlorotrifluoroethane	1428.05
DMS	398.57
cumene	110.98
2-octanol	75.28
2-hexanone	437.79
octyl acetate	133.62
limonene	98.83
1,2-dimethoxyethane	1020.0
ethyl orthosilicate	111.67
tributyl phosphate	122.98
diacetone alcohol	650.72
N,N-dimethylaniline	274.58
acrylonitrile	1283.97
aniline	761.18
1,3-propanediol	800.96
bromobenzene	791.09
dibromomethane	1444.51
1,1,2,2-tetrachloroethane	2365.04
2-methyl-cyclohexyl acetate	205.28
tetrabutyl urea	149.23
diisobutyl methanol	78.66
2-phenylethanol	323.92
styrene	267.76
dioctyl adipate	174.19
dimethyl sulfate	639.48
ethyl butyrate	245.26
methyl lactate	403.11
butyl lactate	249.21
diethyl carbonate	186.08
propanediol butyl ether	386.43
triethyl orthoformate	153.29
p-tert-butyltoluene	73.56
methyl 4-tert-butylbenzoate	310.81
morpholine	1632.79
tert-butylamine	425.5
n-dodecanol	41.23
dimethoxymethane	824.66
ethylene carbonate	766.59
cyrene	375.34
2-ethoxyethyl acetate	428.32
2-ethylhexyl acetate	279.66
1,2,4-trichlorobenzene	840.93
4-methylpyridine	1387.07
dibutyl ether	107.97
2,6-dimethyl-4-heptanol	78.66
DEF	835.01
dimethyl isosorbide	505.42
tetrachloroethylene	1412.47
eugenol	324.81
triacetin	379.41
span 80	263.81
1,4-butanediol	301.97
1,1-dichloroethane	1644.29
2-methyl-1-pentanol	358.31
methyl formate	1142.15
2-methyl-1-butanol	487.27
n-decane	4.9
butyronitrile	757.26
3,7-dimethyl-1-octanol	124.91
1-chlorooctane	55.28
1-chlorotetradecane	17.72
n-nonane	4.08
undecane	3.55
tert-butylcyclohexane	18.35
cyclooctane	5.94
cyclopentanol	646.79
tetrahydropyran	970.15
tert-amyl methyl ether	314.5
2,5,8-trioxanonane	517.84
1-hexene	86.44
2-isopropoxyethanol	449.72
2,2,2-trifluoroethanol	631.79
methyl butyrate	562.12

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