Molecular formula
C14H18O3

SMILES
CCC1(C(O1)(C2=CC=CC=C2)C(=O)OCC)C

Fragrance
Fruity	91.37%
Berry	56.21%
Floral	32.96%
Raspberry	30.15%
Sweet	28.79%
Strawberry	28.34%
Tropical	24.75%
Grape	23.89%
Honey	23.3%
Plum	23.2%

 

Flavor
Bitter	59.55%
Fruity	57.94%
Floral	34.23%
Green	33.28%
Sweet	28.15%
Fruit	26.94%
Herbal	26.07%
Tropical	25.64%
Musty	24.63%
Wine	22.15%

 

Odor impact est.
Medium

XLogP3-AA
2.8

pKa est.
6.72 (neutral)

Molecular weight
234.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
274°C

Flash point

• 118.52 ˚C est.

Ethyl 3-ethyl-3-methyl-2-phenyloxirane-2-carboxylate is typically regarded as a chiral epoxide building block and synthetic intermediate used in asymmetric synthesis for pharmaceutical and agrochemical development; it can serve as a starting material for stereoselective ring-opening to furnish beta-hydroxy esters and related chiral motifs; it is used as a functional epoxy-ester moiety in specialty polymers, coatings, and epoxy resin formulations; it supports process development and catalysis research as a substrate for developing and evaluating new asymmetric transformations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	835.72
methanol	849.73
isopropanol	633.73
water	1.09
ethyl acetate	488.31
n-propanol	790.07
acetone	808.62
n-butanol	647.42
acetonitrile	567.49
DMF	1180.88
toluene	475.93
isobutanol	530.18
1,4-dioxane	1043.06
methyl acetate	598.0
THF	1153.68
2-butanone	803.01
n-pentanol	473.31
sec-butanol	688.6
n-hexane	32.23
ethylene glycol	182.66
NMP	727.93
cyclohexane	119.14
DMSO	530.42
n-butyl acetate	314.44
n-octanol	184.52
chloroform	2341.17
n-propyl acetate	348.61
acetic acid	527.32
dichloromethane	2103.13
cyclohexanone	1066.96
propylene glycol	238.89
isopropyl acetate	285.85
DMAc	755.78
2-ethoxyethanol	554.17
isopentanol	451.04
n-heptane	22.7
ethyl formate	483.7
1,2-dichloroethane	1211.98
n-hexanol	384.17
2-methoxyethanol	849.87
isobutyl acetate	234.32
tetrachloromethane	249.05
n-pentyl acetate	255.81
transcutol	433.47
n-heptanol	204.03
ethylbenzene	232.56
MIBK	312.34
2-propoxyethanol	517.28
tert-butanol	459.7
MTBE	374.96
2-butoxyethanol	311.9
propionic acid	447.7
o-xylene	213.5
formic acid	195.95
diethyl ether	455.96
m-xylene	211.29
p-xylene	315.76
chlorobenzene	699.9
dimethyl carbonate	227.3
n-octane	17.85
formamide	378.29
cyclopentanone	1019.8
2-pentanone	507.98
anisole	399.71
cyclopentyl methyl ether	415.66
gamma-butyrolactone	981.38
1-methoxy-2-propanol	531.16
pyridine	1377.46
3-pentanone	420.3
furfural	855.66
n-dodecane	20.22
diethylene glycol	397.75
diisopropyl ether	114.19
tert-amyl alcohol	452.13
acetylacetone	440.65
n-hexadecane	23.63
acetophenone	387.86
methyl propionate	441.24
isopentyl acetate	289.53
trichloroethylene	2119.16
n-nonanol	163.69
cyclohexanol	603.47
benzyl alcohol	440.1
2-ethylhexanol	197.53
isooctanol	163.13
dipropyl ether	137.03
1,2-dichlorobenzene	525.14
ethyl lactate	184.36
propylene carbonate	535.72
n-methylformamide	602.34
2-pentanol	372.22
n-pentane	41.89
1-propoxy-2-propanol	288.89
1-methoxy-2-propyl acetate	267.22
2-(2-methoxypropoxy) propanol	196.21
mesitylene	116.41
ε-caprolactone	722.89
p-cymene	103.11
epichlorohydrin	1280.25
1,1,1-trichloroethane	807.6
2-aminoethanol	368.67
morpholine-4-carbaldehyde	691.62
sulfolane	769.91
2,2,4-trimethylpentane	27.61
2-methyltetrahydrofuran	791.81
n-hexyl acetate	325.56
isooctane	20.29
2-(2-butoxyethoxy)ethanol	270.52
sec-butyl acetate	229.41
tert-butyl acetate	246.26
decalin	50.41
glycerin	250.13
diglyme	480.94
acrylic acid	401.62
isopropyl myristate	119.41
n-butyric acid	579.25
acetyl acetate	279.38
di(2-ethylhexyl) phthalate	130.44
ethyl propionate	290.29
nitromethane	756.89
1,2-diethoxyethane	249.49
benzonitrile	564.66
trioctyl phosphate	92.96
1-bromopropane	639.32
gamma-valerolactone	1052.41
n-decanol	118.95
triethyl phosphate	114.39
4-methyl-2-pentanol	183.4
propionitrile	575.21
vinylene carbonate	582.17
1,1,2-trichlorotrifluoroethane	656.39
DMS	272.89
cumene	135.31
2-octanol	155.55
2-hexanone	373.85
octyl acetate	164.46
limonene	134.38
1,2-dimethoxyethane	740.08
ethyl orthosilicate	108.53
tributyl phosphate	100.54
diacetone alcohol	319.43
N,N-dimethylaniline	223.18
acrylonitrile	656.68
aniline	496.31
1,3-propanediol	513.6
bromobenzene	794.11
dibromomethane	1354.5
1,1,2,2-tetrachloroethane	1433.41
2-methyl-cyclohexyl acetate	206.12
tetrabutyl urea	139.41
diisobutyl methanol	97.88
2-phenylethanol	360.76
styrene	315.66
dioctyl adipate	160.36
dimethyl sulfate	276.65
ethyl butyrate	220.8
methyl lactate	212.82
butyl lactate	179.76
diethyl carbonate	167.99
propanediol butyl ether	240.8
triethyl orthoformate	151.8
p-tert-butyltoluene	90.73
methyl 4-tert-butylbenzoate	228.07
morpholine	1128.5
tert-butylamine	277.61
n-dodecanol	91.17
dimethoxymethane	588.06
ethylene carbonate	506.95
cyrene	291.4
2-ethoxyethyl acetate	298.97
2-ethylhexyl acetate	236.3
1,2,4-trichlorobenzene	592.99
4-methylpyridine	946.35
dibutyl ether	153.88
2,6-dimethyl-4-heptanol	97.88
DEF	496.81
dimethyl isosorbide	314.95
tetrachloroethylene	957.31
eugenol	243.58
triacetin	226.55
span 80	181.86
1,4-butanediol	272.95
1,1-dichloroethane	1076.38
2-methyl-1-pentanol	384.12
methyl formate	469.44
2-methyl-1-butanol	477.16
n-decane	30.22
butyronitrile	630.76
3,7-dimethyl-1-octanol	154.57
1-chlorooctane	136.1
1-chlorotetradecane	60.72
n-nonane	27.02
undecane	24.21
tert-butylcyclohexane	38.63
cyclooctane	29.49
cyclopentanol	621.24
tetrahydropyran	1043.06
tert-amyl methyl ether	271.37
2,5,8-trioxanonane	314.22
1-hexene	165.58
2-isopropoxyethanol	363.48
2,2,2-trifluoroethanol	192.2
methyl butyrate	417.07

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