Molecular formula
C6H12NO+

SMILES
C[C@H]1C(=[NH+][C@@H](O1)C)C

Fragrance
Nutty	69.08%
Woody	63.8%
Vegetable	54.87%
Musty	52.85%
Roasted	50.96%
Cocoa	47.52%
Earthy	47.4%
Green	44.68%
Caramellic	44.29%
Burnt	39.87%

 

Flavor
Green	53.34%
Nutty	43.46%
Musty	36.56%
Caramel	35.25%
Earthy	30.71%
Woody	28.48%
Wood	27.94%
Roasted	27.77%
Vegetable	27.71%
Minty	27.22%

 

Odor impact est.
High

XLogP3-AA
0.5

pKa est.
9.61 (weak base)

Molecular weight
114.17 g/mol

Flash point

• 32.83 ˚C est.

The compound (2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium is primarily used as an organic synthesis intermediate and a chiral building block for fine chemicals and pharmaceutical synthesis; it is commonly evaluated as a precursor for chiral ligands or catalysts in asymmetric transformations; it can serve as a component or precursor in ionic liquids or specialty solvents for polymer and materials processing; it may function as a cationic monomer or functional additive in coatings and inks to modify surface and mechanical properties; and it is often encountered as a reactive intermediate to introduce oxazole motifs in pharmaceutical and agrochemical research. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2380.48
methanol	3842.94
isopropanol	1394.31
water	1064.45
ethyl acetate	439.95
n-propanol	1454.36
acetone	648.39
n-butanol	1160.97
acetonitrile	827.08
DMF	847.82
toluene	210.02
isobutanol	979.85
1,4-dioxane	661.0
methyl acetate	456.7
THF	941.83
2-butanone	497.1
n-pentanol	666.02
sec-butanol	1090.75
n-hexane	73.06
ethylene glycol	853.94
NMP	823.5
cyclohexane	73.18
DMSO	658.58
n-butyl acetate	185.41
n-octanol	210.74
chloroform	1683.58
n-propyl acetate	156.28
acetic acid	1862.06
dichloromethane	1446.19
cyclohexanone	478.9
propylene glycol	824.38
isopropyl acetate	219.56
DMAc	767.87
2-ethoxyethanol	852.08
isopentanol	726.87
n-heptane	41.5
ethyl formate	434.13
1,2-dichloroethane	541.2
n-hexanol	462.26
2-methoxyethanol	1577.35
isobutyl acetate	108.94
tetrachloromethane	375.15
n-pentyl acetate	172.83
transcutol	897.13
n-heptanol	230.36
ethylbenzene	69.09
MIBK	177.48
2-propoxyethanol	699.14
tert-butanol	924.2
MTBE	473.63
2-butoxyethanol	396.06
propionic acid	844.06
o-xylene	126.57
formic acid	1893.51
diethyl ether	546.46
m-xylene	115.91
p-xylene	100.54
chlorobenzene	279.02
dimethyl carbonate	112.23
n-octane	18.95
formamide	1478.69
cyclopentanone	570.54
2-pentanone	343.32
anisole	172.65
cyclopentyl methyl ether	378.81
gamma-butyrolactone	693.83
1-methoxy-2-propanol	891.43
pyridine	543.86
3-pentanone	260.75
furfural	660.06
n-dodecane	15.0
diethylene glycol	643.95
diisopropyl ether	107.02
tert-amyl alcohol	803.55
acetylacetone	255.18
n-hexadecane	15.92
acetophenone	141.15
methyl propionate	325.95
isopentyl acetate	153.13
trichloroethylene	841.77
n-nonanol	174.79
cyclohexanol	571.23
benzyl alcohol	258.75
2-ethylhexanol	189.17
isooctanol	162.18
dipropyl ether	147.72
1,2-dichlorobenzene	200.66
ethyl lactate	120.75
propylene carbonate	323.55
n-methylformamide	925.09
2-pentanol	612.23
n-pentane	109.55
1-propoxy-2-propanol	372.54
1-methoxy-2-propyl acetate	174.53
2-(2-methoxypropoxy) propanol	214.38
mesitylene	59.26
ε-caprolactone	431.61
p-cymene	57.08
epichlorohydrin	713.17
1,1,1-trichloroethane	511.65
2-aminoethanol	1412.38
morpholine-4-carbaldehyde	670.49
sulfolane	516.24
2,2,4-trimethylpentane	50.06
2-methyltetrahydrofuran	752.63
n-hexyl acetate	228.29
isooctane	24.99
2-(2-butoxyethoxy)ethanol	311.08
sec-butyl acetate	115.92
tert-butyl acetate	169.84
decalin	30.21
glycerin	898.05
diglyme	502.7
acrylic acid	739.13
isopropyl myristate	70.4
n-butyric acid	873.31
acetyl acetate	250.04
di(2-ethylhexyl) phthalate	88.66
ethyl propionate	134.5
nitromethane	1224.84
1,2-diethoxyethane	244.19
benzonitrile	267.02
trioctyl phosphate	61.74
1-bromopropane	455.82
gamma-valerolactone	713.52
n-decanol	117.04
triethyl phosphate	66.47
4-methyl-2-pentanol	252.3
propionitrile	536.51
vinylene carbonate	319.53
1,1,2-trichlorotrifluoroethane	644.56
DMS	119.14
cumene	59.96
2-octanol	143.53
2-hexanone	185.01
octyl acetate	105.13
limonene	89.11
1,2-dimethoxyethane	585.71
ethyl orthosilicate	71.18
tributyl phosphate	74.56
diacetone alcohol	258.44
N,N-dimethylaniline	132.12
acrylonitrile	551.96
aniline	422.24
1,3-propanediol	1298.43
bromobenzene	228.53
dibromomethane	935.86
1,1,2,2-tetrachloroethane	656.32
2-methyl-cyclohexyl acetate	99.38
tetrabutyl urea	89.76
diisobutyl methanol	85.26
2-phenylethanol	214.81
styrene	91.89
dioctyl adipate	90.93
dimethyl sulfate	157.3
ethyl butyrate	128.56
methyl lactate	226.38
butyl lactate	140.63
diethyl carbonate	80.4
propanediol butyl ether	289.52
triethyl orthoformate	97.67
p-tert-butyltoluene	55.84
methyl 4-tert-butylbenzoate	156.93
morpholine	873.17
tert-butylamine	627.12
n-dodecanol	82.16
dimethoxymethane	454.06
ethylene carbonate	265.12
cyrene	185.19
2-ethoxyethyl acetate	212.21
2-ethylhexyl acetate	117.07
1,2,4-trichlorobenzene	247.36
4-methylpyridine	529.91
dibutyl ether	136.04
2,6-dimethyl-4-heptanol	85.26
DEF	396.5
dimethyl isosorbide	238.84
tetrachloroethylene	544.45
eugenol	182.3
triacetin	160.52
span 80	194.95
1,4-butanediol	592.36
1,1-dichloroethane	708.04
2-methyl-1-pentanol	493.96
methyl formate	520.71
2-methyl-1-butanol	826.85
n-decane	26.26
butyronitrile	597.19
3,7-dimethyl-1-octanol	172.44
1-chlorooctane	91.64
1-chlorotetradecane	34.03
n-nonane	26.97
undecane	18.61
tert-butylcyclohexane	32.26
cyclooctane	24.97
cyclopentanol	703.55
tetrahydropyran	565.08
tert-amyl methyl ether	346.98
2,5,8-trioxanonane	309.36
1-hexene	205.56
2-isopropoxyethanol	471.81
2,2,2-trifluoroethanol	673.99
methyl butyrate	189.2

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