Molecular formula
C14H18O3

SMILES
CCCCOC(=O)C1(C(O1)C)C2=CC=CC=C2

Fragrance
Fruity	89.94%
Berry	49.55%
Sweet	46.67%
Caramellic	36.4%
Floral	29.64%
Strawberry	29.53%
Buttery	25.05%
Grape	24.39%
Honey	24.28%
Tropical	24.1%

 

Flavor
Bitter	53.19%
Fruity	46.5%
Floral	32.3%
Wine	23.18%
Musty	21.6%
Rose	21.46%
Mild	21.44%
Waxy	21.22%
Genet	21.05%
Heather	21.02%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
6.66 (neutral)

Molecular weight
234.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
291°C

Flash point

• 129.08 ˚C est.

Butyl 3-methyl-2-phenyloxirane-2-carboxylate is primarily employed as a synthetic intermediate in organic chemistry, providing a chiral epoxide motif that enables stereoselective ring-opening to furnish beta-hydroxy esters and other chiral building blocks used in pharmaceutical and fine-chemical synthesis. It can act as a reactive epoxide monomer or crosslinking component in epoxy resin formulations, coatings and adhesives, contributing to network formation and film properties. The ester and epoxide functionality also make it a potential precursor in specialty polymers and UV-curable systems. In fragrance and flavor chemistry, it is evaluated as a synthetic intermediate for aroma-related compounds. Depending on formulation, it may be used in electronics-grade coatings and potting resins where reactive epoxy functionality is advantageous.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1510.65
methanol	1616.5
isopropanol	931.21
water	0.31
ethyl acetate	1851.76
n-propanol	1239.9
acetone	2424.04
n-butanol	1096.09
acetonitrile	2085.81
DMF	2063.39
toluene	831.74
isobutanol	902.89
1,4-dioxane	1888.04
methyl acetate	1833.7
THF	2129.0
2-butanone	2057.7
n-pentanol	619.56
sec-butanol	996.54
n-hexane	38.11
ethylene glycol	216.22
NMP	1362.24
cyclohexane	167.42
DMSO	1071.76
n-butyl acetate	817.59
n-octanol	179.95
chloroform	4217.42
n-propyl acetate	849.5
acetic acid	1385.79
dichloromethane	4859.09
cyclohexanone	2354.88
propylene glycol	283.3
isopropyl acetate	969.39
DMAc	1463.58
2-ethoxyethanol	938.5
isopentanol	842.19
n-heptane	22.23
ethyl formate	1078.34
1,2-dichloroethane	3452.62
n-hexanol	469.03
2-methoxyethanol	1733.34
isobutyl acetate	480.43
tetrachloromethane	315.16
n-pentyl acetate	489.12
transcutol	1680.63
n-heptanol	205.11
ethylbenzene	330.93
MIBK	745.39
2-propoxyethanol	862.88
tert-butanol	742.78
MTBE	821.49
2-butoxyethanol	455.94
propionic acid	983.71
o-xylene	342.19
formic acid	442.38
diethyl ether	1241.48
m-xylene	364.33
p-xylene	430.66
chlorobenzene	1599.52
dimethyl carbonate	591.37
n-octane	14.0
formamide	952.56
cyclopentanone	2166.82
2-pentanone	1565.78
anisole	702.83
cyclopentyl methyl ether	887.18
gamma-butyrolactone	2081.67
1-methoxy-2-propanol	943.78
pyridine	2758.04
3-pentanone	1113.51
furfural	1742.22
n-dodecane	15.16
diethylene glycol	664.42
diisopropyl ether	264.27
tert-amyl alcohol	692.74
acetylacetone	1407.32
n-hexadecane	18.39
acetophenone	699.89
methyl propionate	1337.25
isopentyl acetate	671.25
trichloroethylene	5461.62
n-nonanol	162.58
cyclohexanol	951.29
benzyl alcohol	676.49
2-ethylhexanol	239.35
isooctanol	183.47
dipropyl ether	231.94
1,2-dichlorobenzene	1167.26
ethyl lactate	312.21
propylene carbonate	1150.35
n-methylformamide	1239.92
2-pentanol	640.58
n-pentane	53.01
1-propoxy-2-propanol	478.46
1-methoxy-2-propyl acetate	693.3
2-(2-methoxypropoxy) propanol	340.88
mesitylene	191.84
ε-caprolactone	1737.45
p-cymene	130.0
epichlorohydrin	3232.9
1,1,1-trichloroethane	2041.59
2-aminoethanol	492.13
morpholine-4-carbaldehyde	1347.3
sulfolane	1436.19
2,2,4-trimethylpentane	38.87
2-methyltetrahydrofuran	1615.6
n-hexyl acetate	570.52
isooctane	29.27
2-(2-butoxyethoxy)ethanol	514.74
sec-butyl acetate	546.41
tert-butyl acetate	742.05
decalin	63.34
glycerin	335.16
diglyme	1040.82
acrylic acid	861.17
isopropyl myristate	176.54
n-butyric acid	1444.56
acetyl acetate	931.4
di(2-ethylhexyl) phthalate	173.55
ethyl propionate	680.84
nitromethane	2469.35
1,2-diethoxyethane	700.03
benzonitrile	1024.38
trioctyl phosphate	112.74
1-bromopropane	1472.7
gamma-valerolactone	2287.38
n-decanol	115.73
triethyl phosphate	192.06
4-methyl-2-pentanol	317.63
propionitrile	1417.94
vinylene carbonate	1186.41
1,1,2-trichlorotrifluoroethane	1323.19
DMS	600.86
cumene	175.72
2-octanol	150.01
2-hexanone	773.44
octyl acetate	231.91
limonene	191.51
1,2-dimethoxyethane	1315.91
ethyl orthosilicate	170.1
tributyl phosphate	147.17
diacetone alcohol	716.84
N,N-dimethylaniline	321.15
acrylonitrile	1729.5
aniline	1012.07
1,3-propanediol	825.04
bromobenzene	1706.95
dibromomethane	2864.0
1,1,2,2-tetrachloroethane	3506.36
2-methyl-cyclohexyl acetate	324.75
tetrabutyl urea	196.19
diisobutyl methanol	140.0
2-phenylethanol	542.71
styrene	516.16
dioctyl adipate	243.1
dimethyl sulfate	577.96
ethyl butyrate	446.2
methyl lactate	429.35
butyl lactate	307.22
diethyl carbonate	334.74
propanediol butyl ether	336.87
triethyl orthoformate	266.63
p-tert-butyltoluene	115.31
methyl 4-tert-butylbenzoate	342.38
morpholine	2364.7
tert-butylamine	414.47
n-dodecanol	87.22
dimethoxymethane	1304.97
ethylene carbonate	1082.54
cyrene	400.74
2-ethoxyethyl acetate	719.13
2-ethylhexyl acetate	500.21
1,2,4-trichlorobenzene	1257.84
4-methylpyridine	2073.48
dibutyl ether	255.8
2,6-dimethyl-4-heptanol	140.0
DEF	1311.92
dimethyl isosorbide	535.08
tetrachloroethylene	2192.13
eugenol	352.48
triacetin	443.84
span 80	272.68
1,4-butanediol	299.67
1,1-dichloroethane	2840.63
2-methyl-1-pentanol	539.14
methyl formate	1000.05
2-methyl-1-butanol	853.1
n-decane	22.75
butyronitrile	1394.0
3,7-dimethyl-1-octanol	207.12
1-chlorooctane	145.39
1-chlorotetradecane	61.35
n-nonane	19.87
undecane	18.04
tert-butylcyclohexane	46.24
cyclooctane	38.28
cyclopentanol	877.84
tetrahydropyran	2135.4
tert-amyl methyl ether	536.1
2,5,8-trioxanonane	574.02
1-hexene	228.69
2-isopropoxyethanol	605.13
2,2,2-trifluoroethanol	412.61
methyl butyrate	967.08

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