Molecular formula
C12H20O4

SMILES
C[C@@]1(CC[C@H](C1(C)C)C(=O)OC)C(=O)OC

Fragrance
Fruity	86.95%
Herbal	53.97%
Apple	39.55%
Floral	37.19%
Woody	35.93%
Berry	35.19%
Mint	33.95%
Sweet	31.27%
Fresh	30.27%
Camphoreous	28.33%

 

Flavor
Fruity	68.85%
Bitter	46.4%
Sweet	41.51%
Fruit	35.15%
Herbal	34.56%
Green	33.58%
Tropical	33.34%
Berry	29.86%
Citrus	29.56%
Woody	29.36%

 

Odor impact est.
Medium

XLogP3-AA
2.0

pKa est.
6.47 (neutral)

Molecular weight
228.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 122.05 ˚C est.

• SCHEMBL16331022
• JTQKJWYDOXYYBH-QPUJVOFHSA-N
• AKOS000267779
• (1S,3R)-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

The compound (1S,3R)-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate is typically employed as a chiral building block in asymmetric synthesis and as an intermediate in the development of pharmaceutical and agrochemical agents. It can serve as a precursor for specialty polymers and high‑performance materials after hydrolysis to the corresponding diacid, enabling rigid cyclopentane‑based architectures in polyester formulations. The scaffold is also used in the design of ligands and catalysts for enantioselective transformations in homogeneous catalysis. In research and process development, it supports stereochemical studies and the preparation of diverse chiral derivatives for method development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	473.19
methanol	669.99
isopropanol	434.41
water	22.54
ethyl acetate	1025.54
n-propanol	426.65
acetone	1826.93
n-butanol	332.34
acetonitrile	1527.33
DMF	3353.79
toluene	739.49
isobutanol	319.59
1,4-dioxane	1586.61
methyl acetate	1128.75
THF	2025.13
2-butanone	1122.03
n-pentanol	229.87
sec-butanol	423.85
n-hexane	44.77
ethylene glycol	267.32
NMP	2392.67
cyclohexane	102.54
DMSO	2879.45
n-butyl acetate	431.71
n-octanol	128.54
chloroform	4049.32
n-propyl acetate	557.61
acetic acid	1176.1
dichloromethane	3700.23
cyclohexanone	1562.36
propylene glycol	309.19
isopropyl acetate	679.42
DMAc	1572.3
2-ethoxyethanol	626.06
isopentanol	279.17
n-heptane	21.38
ethyl formate	743.22
1,2-dichloroethane	2244.57
n-hexanol	228.7
2-methoxyethanol	1122.96
isobutyl acetate	276.26
tetrachloromethane	806.52
n-pentyl acetate	323.86
transcutol	923.52
n-heptanol	136.84
ethylbenzene	394.89
MIBK	527.0
2-propoxyethanol	543.28
tert-butanol	558.82
MTBE	572.6
2-butoxyethanol	330.23
propionic acid	842.33
o-xylene	520.25
formic acid	1003.01
diethyl ether	664.58
m-xylene	545.3
p-xylene	494.44
chlorobenzene	1267.59
dimethyl carbonate	878.38
n-octane	10.61
formamide	2058.29
cyclopentanone	2287.33
2-pentanone	892.16
anisole	888.58
cyclopentyl methyl ether	891.19
gamma-butyrolactone	2840.1
1-methoxy-2-propanol	917.31
pyridine	1799.34
3-pentanone	784.15
furfural	2506.87
n-dodecane	6.97
diethylene glycol	505.11
diisopropyl ether	231.76
tert-amyl alcohol	500.86
acetylacetone	1481.43
n-hexadecane	8.67
acetophenone	928.33
methyl propionate	999.75
isopentyl acetate	369.75
trichloroethylene	4979.04
n-nonanol	115.78
cyclohexanol	495.25
benzyl alcohol	652.03
2-ethylhexanol	140.19
isooctanol	111.49
dipropyl ether	193.45
1,2-dichlorobenzene	1195.57
ethyl lactate	356.71
propylene carbonate	1402.62
n-methylformamide	1956.49
2-pentanol	286.92
n-pentane	47.64
1-propoxy-2-propanol	364.73
1-methoxy-2-propyl acetate	654.02
2-(2-methoxypropoxy) propanol	312.79
mesitylene	306.47
ε-caprolactone	1312.51
p-cymene	158.96
epichlorohydrin	2786.69
1,1,1-trichloroethane	2205.1
2-aminoethanol	394.2
morpholine-4-carbaldehyde	2046.51
sulfolane	3417.27
2,2,4-trimethylpentane	34.25
2-methyltetrahydrofuran	1240.56
n-hexyl acetate	398.75
isooctane	23.39
2-(2-butoxyethoxy)ethanol	367.66
sec-butyl acetate	379.07
tert-butyl acetate	743.98
decalin	59.51
glycerin	580.4
diglyme	935.61
acrylic acid	1067.8
isopropyl myristate	129.15
n-butyric acid	818.25
acetyl acetate	880.9
di(2-ethylhexyl) phthalate	159.12
ethyl propionate	591.4
nitromethane	3882.86
1,2-diethoxyethane	313.58
benzonitrile	868.83
trioctyl phosphate	111.63
1-bromopropane	769.81
gamma-valerolactone	2495.8
n-decanol	75.68
triethyl phosphate	216.79
4-methyl-2-pentanol	175.32
propionitrile	818.84
vinylene carbonate	1438.29
1,1,2-trichlorotrifluoroethane	2058.4
DMS	654.75
cumene	240.25
2-octanol	105.3
2-hexanone	498.56
octyl acetate	174.65
limonene	187.58
1,2-dimethoxyethane	1083.91
ethyl orthosilicate	174.66
tributyl phosphate	134.54
diacetone alcohol	732.48
N,N-dimethylaniline	534.53
acrylonitrile	1417.21
aniline	973.58
1,3-propanediol	483.91
bromobenzene	1318.02
dibromomethane	2014.52
1,1,2,2-tetrachloroethane	3508.0
2-methyl-cyclohexyl acetate	317.27
tetrabutyl urea	169.58
diisobutyl methanol	99.83
2-phenylethanol	491.45
styrene	495.22
dioctyl adipate	207.37
dimethyl sulfate	1809.28
ethyl butyrate	350.64
methyl lactate	655.15
butyl lactate	277.94
diethyl carbonate	288.1
propanediol butyl ether	316.61
triethyl orthoformate	237.0
p-tert-butyltoluene	156.88
methyl 4-tert-butylbenzoate	525.83
morpholine	1582.29
tert-butylamine	329.18
n-dodecanol	51.38
dimethoxymethane	1490.04
ethylene carbonate	1078.77
cyrene	541.25
2-ethoxyethyl acetate	485.92
2-ethylhexyl acetate	283.24
1,2,4-trichlorobenzene	1454.31
4-methylpyridine	1616.06
dibutyl ether	123.97
2,6-dimethyl-4-heptanol	99.83
DEF	1059.22
dimethyl isosorbide	681.33
tetrachloroethylene	2262.37
eugenol	439.33
triacetin	531.6
span 80	268.66
1,4-butanediol	222.73
1,1-dichloroethane	1979.08
2-methyl-1-pentanol	204.04
methyl formate	1661.8
2-methyl-1-butanol	277.7
n-decane	14.98
butyronitrile	633.95
3,7-dimethyl-1-octanol	123.03
1-chlorooctane	98.43
1-chlorotetradecane	29.97
n-nonane	14.04
undecane	9.8
tert-butylcyclohexane	43.63
cyclooctane	39.67
cyclopentanol	674.48
tetrahydropyran	1116.16
tert-amyl methyl ether	444.85
2,5,8-trioxanonane	520.37
1-hexene	159.09
2-isopropoxyethanol	405.51
2,2,2-trifluoroethanol	1032.63
methyl butyrate	715.47

Scent© AI