Molecular formula
C12H20O3

SMILES
CCCCC[C@H]1[C@@H](CCC1=O)C(=O)OC

Fragrance
Floral	89.96%
Green	82.87%
Jasmin	78.23%
Fresh	53.49%
Herbal	51.1%
Oily	45.53%
Lactonic	40.41%
Fruity	40.3%
Sweet	37.47%
Muguet	37.13%

 

Flavor
Oily	46.16%
Floral	44.79%
Waxy	43.31%
Green	42.2%
Herbal	33.03%
Fresh	32.71%
Fruity	30.58%
Tropical	30.22%
Fatty	29.35%
Jasmin	28.97%

 

Odor impact est.
Medium

XLogP3-AA
2.4

pKa est.
7.89 (neutral)

Molecular weight
212.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
289°C

Flash point

• 125.41 ˚C est.

• NS00002453

Methyl (1R,2S)-3-oxo-2-pentylcyclopentane-1-carboxylate is primarily used as a chiral building block and synthetic intermediate in organic synthesis. In practice, it is commonly evaluated for pharmaceutical and agrochemical research as a precursor to enantioenriched ketones and related scaffolds. It also serves as a useful intermediate in fragrance chemistry, enabling derivatization to yield odor-active compounds. Additionally, it can function as a functionalized precursor in polymer and plastic chemistry and as a versatile building block in industrial fine-chemical manufacturing. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3736.2
methanol	6456.08
isopropanol	2945.85
water	2.16
ethyl acetate	4841.52
n-propanol	2587.62
acetone	5267.29
n-butanol	2206.1
acetonitrile	5105.69
DMF	5122.54
toluene	1107.63
isobutanol	1975.1
1,4-dioxane	3573.93
methyl acetate	3264.67
THF	3527.96
2-butanone	3609.99
n-pentanol	1218.6
sec-butanol	2040.23
n-hexane	25.18
ethylene glycol	454.55
NMP	2684.39
cyclohexane	77.99
DMSO	3592.04
n-butyl acetate	1881.7
n-octanol	246.81
chloroform	6911.76
n-propyl acetate	1993.27
acetic acid	4024.37
dichloromethane	6162.08
cyclohexanone	3904.07
propylene glycol	606.66
isopropyl acetate	2964.64
DMAc	3119.16
2-ethoxyethanol	2311.44
isopentanol	2109.08
n-heptane	7.84
ethyl formate	2863.94
1,2-dichloroethane	4066.25
n-hexanol	787.02
2-methoxyethanol	4073.35
isobutyl acetate	1164.49
tetrachloromethane	705.22
n-pentyl acetate	854.53
transcutol	5173.39
n-heptanol	283.2
ethylbenzene	465.39
MIBK	1554.13
2-propoxyethanol	1786.67
tert-butanol	2937.8
MTBE	2664.95
2-butoxyethanol	860.08
propionic acid	2197.82
o-xylene	580.35
formic acid	1558.89
diethyl ether	2166.48
m-xylene	646.96
p-xylene	647.24
chlorobenzene	1926.3
dimethyl carbonate	936.94
n-octane	6.03
formamide	2637.97
cyclopentanone	3799.75
2-pentanone	2852.84
anisole	1276.68
cyclopentyl methyl ether	1678.62
gamma-butyrolactone	4755.73
1-methoxy-2-propanol	2555.85
pyridine	3870.95
3-pentanone	1684.67
furfural	3787.2
n-dodecane	8.05
diethylene glycol	1297.83
diisopropyl ether	449.2
tert-amyl alcohol	1988.52
acetylacetone	3129.02
n-hexadecane	9.97
acetophenone	1281.5
methyl propionate	2334.79
isopentyl acetate	1630.36
trichloroethylene	7927.65
n-nonanol	217.19
cyclohexanol	1563.68
benzyl alcohol	1208.61
2-ethylhexanol	382.14
isooctanol	254.64
dipropyl ether	298.71
1,2-dichlorobenzene	1537.01
ethyl lactate	566.82
propylene carbonate	2594.68
n-methylformamide	3442.91
2-pentanol	1261.15
n-pentane	27.06
1-propoxy-2-propanol	1056.66
1-methoxy-2-propyl acetate	1464.24
2-(2-methoxypropoxy) propanol	656.09
mesitylene	332.25
ε-caprolactone	3533.6
p-cymene	189.18
epichlorohydrin	4973.02
1,1,1-trichloroethane	3713.03
2-aminoethanol	1204.59
morpholine-4-carbaldehyde	2985.65
sulfolane	3374.18
2,2,4-trimethylpentane	39.5
2-methyltetrahydrofuran	2940.86
n-hexyl acetate	980.7
isooctane	30.25
2-(2-butoxyethoxy)ethanol	1017.61
sec-butyl acetate	1401.84
tert-butyl acetate	2022.5
decalin	61.51
glycerin	853.07
diglyme	2142.28
acrylic acid	1759.64
isopropyl myristate	242.65
n-butyric acid	4133.36
acetyl acetate	2421.11
di(2-ethylhexyl) phthalate	287.1
ethyl propionate	1515.41
nitromethane	6983.59
1,2-diethoxyethane	1382.38
benzonitrile	1970.6
trioctyl phosphate	168.39
1-bromopropane	1569.6
gamma-valerolactone	4844.92
n-decanol	143.95
triethyl phosphate	307.53
4-methyl-2-pentanol	619.8
propionitrile	2795.72
vinylene carbonate	2383.61
1,1,2-trichlorotrifluoroethane	3050.06
DMS	989.42
cumene	281.62
2-octanol	207.28
2-hexanone	1441.46
octyl acetate	321.93
limonene	261.77
1,2-dimethoxyethane	3110.84
ethyl orthosilicate	298.68
tributyl phosphate	269.57
diacetone alcohol	1839.05
N,N-dimethylaniline	622.34
acrylonitrile	3497.92
aniline	1804.0
1,3-propanediol	2141.62
bromobenzene	2039.94
dibromomethane	3398.66
1,1,2,2-tetrachloroethane	5645.13
2-methyl-cyclohexyl acetate	537.76
tetrabutyl urea	297.07
diisobutyl methanol	226.85
2-phenylethanol	836.7
styrene	744.41
dioctyl adipate	376.23
dimethyl sulfate	1234.92
ethyl butyrate	893.85
methyl lactate	875.18
butyl lactate	608.55
diethyl carbonate	590.75
propanediol butyl ether	727.76
triethyl orthoformate	501.74
p-tert-butyltoluene	182.03
methyl 4-tert-butylbenzoate	627.69
morpholine	4601.22
tert-butylamine	1372.82
n-dodecanol	100.2
dimethoxymethane	2340.97
ethylene carbonate	2208.31
cyrene	655.33
2-ethoxyethyl acetate	1377.15
2-ethylhexyl acetate	1062.67
1,2,4-trichlorobenzene	1766.09
4-methylpyridine	4161.03
dibutyl ether	354.04
2,6-dimethyl-4-heptanol	226.85
DEF	3108.97
dimethyl isosorbide	1056.42
tetrachloroethylene	3484.27
eugenol	662.16
triacetin	856.08
span 80	514.89
1,4-butanediol	688.33
1,1-dichloroethane	4726.18
2-methyl-1-pentanol	1178.68
methyl formate	2421.35
2-methyl-1-butanol	1793.46
n-decane	13.89
butyronitrile	2919.26
3,7-dimethyl-1-octanol	330.35
1-chlorooctane	142.44
1-chlorotetradecane	47.8
n-nonane	11.3
undecane	10.08
tert-butylcyclohexane	53.11
cyclooctane	17.39
cyclopentanol	1597.2
tetrahydropyran	3092.75
tert-amyl methyl ether	1273.45
2,5,8-trioxanonane	1099.05
1-hexene	276.55
2-isopropoxyethanol	1442.96
2,2,2-trifluoroethanol	1408.42
methyl butyrate	2318.65

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