Molecular formula
C8H14O3

SMILES
CC/C=C\C(=O)C(OC)OC

Fragrance
Sweet	71.83%
Earthy	51.77%
Herbal	47.9%
Mint	47.16%
Camphoreous	37.74%
Green	36.33%
Spicy	34.6%
Warm	34.37%
Pungent	34.06%
Fresh	32.97%

 

Flavor
Fruity	57.94%
Caramel	25.62%
Mushroom	25.01%
Berry	24.9%
Green	24.57%
Creamy	23.72%
Nutty	23.5%
Tropical	23.15%
Sweet	22.22%
Fatty	22.01%

 

Odor impact est.
High

XLogP3-AA
1.1

pKa est.
6.91 (neutral)

Molecular weight
158.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
207°C

Flash point

• 67.27 ˚C est.

• SCHEMBL11600177
• CXKGHOAVDKKBHU-WAYWQWQTSA-N
• 1,1-Dimethoxy-cis-3-hexene-2-one

1,1-Dimethoxy-cis-3-hexene-2-one is primarily used as an organic synthesis intermediate and as a masked form of a green-note enone in fragrance chemistry; in perfumery it functions as a fragrance precursor and can serve as a releasable odorant when hydrolyzed to the corresponding ketone. In cosmetics/personal care, it can be employed as a scent intermediate or additive within fragrance-containing formulations. In industrial manufacturing, it acts as a building block for specialty fragrance-related intermediates and related chemicals used in fragrance and flavor compound development. In research and development, it is evaluated as a protected enone that enables selective transformations and staged synthesis of complex aroma compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1351.9
methanol	2102.31
isopropanol	818.15
water	13.12
ethyl acetate	850.3
n-propanol	977.93
acetone	1061.38
n-butanol	840.73
acetonitrile	1074.55
DMF	1110.04
toluene	302.06
isobutanol	699.5
1,4-dioxane	1599.09
methyl acetate	952.65
THF	1110.42
2-butanone	674.99
n-pentanol	544.01
sec-butanol	776.72
n-hexane	70.76
ethylene glycol	576.53
NMP	1063.91
cyclohexane	315.66
DMSO	839.0
n-butyl acetate	499.52
n-octanol	220.91
chloroform	3088.11
n-propyl acetate	474.86
acetic acid	3073.7
dichloromethane	2621.24
cyclohexanone	1205.21
propylene glycol	432.89
isopropyl acetate	374.19
DMAc	734.1
2-ethoxyethanol	851.63
isopentanol	568.6
n-heptane	67.54
ethyl formate	893.28
1,2-dichloroethane	1377.84
n-hexanol	489.31
2-methoxyethanol	1550.19
isobutyl acetate	249.73
tetrachloromethane	671.4
n-pentyl acetate	303.59
transcutol	1130.34
n-heptanol	234.08
ethylbenzene	187.73
MIBK	252.35
2-propoxyethanol	711.1
tert-butanol	1013.78
MTBE	623.31
2-butoxyethanol	422.22
propionic acid	1171.74
o-xylene	221.28
formic acid	1374.79
diethyl ether	687.94
m-xylene	186.57
p-xylene	253.17
chlorobenzene	677.08
dimethyl carbonate	274.21
n-octane	31.77
formamide	1461.48
cyclopentanone	998.55
2-pentanone	500.94
anisole	379.89
cyclopentyl methyl ether	570.75
gamma-butyrolactone	1418.44
1-methoxy-2-propanol	702.0
pyridine	1305.46
3-pentanone	395.72
furfural	1383.31
n-dodecane	24.87
diethylene glycol	707.25
diisopropyl ether	142.49
tert-amyl alcohol	843.2
acetylacetone	522.54
n-hexadecane	28.36
acetophenone	387.22
methyl propionate	611.11
isopentyl acetate	386.74
trichloroethylene	2991.31
n-nonanol	180.89
cyclohexanol	988.56
benzyl alcohol	457.24
2-ethylhexanol	284.66
isooctanol	182.15
dipropyl ether	253.63
1,2-dichlorobenzene	586.03
ethyl lactate	258.25
propylene carbonate	867.13
n-methylformamide	1120.42
2-pentanol	478.15
n-pentane	99.07
1-propoxy-2-propanol	436.48
1-methoxy-2-propyl acetate	331.32
2-(2-methoxypropoxy) propanol	256.44
mesitylene	126.56
ε-caprolactone	1027.78
p-cymene	145.31
epichlorohydrin	1438.73
1,1,1-trichloroethane	1562.93
2-aminoethanol	809.59
morpholine-4-carbaldehyde	1029.82
sulfolane	1248.62
2,2,4-trimethylpentane	61.19
2-methyltetrahydrofuran	915.83
n-hexyl acetate	388.15
isooctane	35.8
2-(2-butoxyethoxy)ethanol	386.53
sec-butyl acetate	267.97
tert-butyl acetate	351.6
decalin	85.06
glycerin	616.22
diglyme	799.59
acrylic acid	1201.1
isopropyl myristate	133.31
n-butyric acid	1348.15
acetyl acetate	613.12
di(2-ethylhexyl) phthalate	147.59
ethyl propionate	376.99
nitromethane	2629.69
1,2-diethoxyethane	426.73
benzonitrile	628.03
trioctyl phosphate	115.13
1-bromopropane	696.5
gamma-valerolactone	1303.58
n-decanol	125.48
triethyl phosphate	176.64
4-methyl-2-pentanol	209.02
propionitrile	796.52
vinylene carbonate	912.43
1,1,2-trichlorotrifluoroethane	1460.96
DMS	309.07
cumene	128.66
2-octanol	158.65
2-hexanone	346.23
octyl acetate	183.57
limonene	229.53
1,2-dimethoxyethane	1071.04
ethyl orthosilicate	178.64
tributyl phosphate	140.13
diacetone alcohol	393.46
N,N-dimethylaniline	239.84
acrylonitrile	1071.59
aniline	562.13
1,3-propanediol	1023.76
bromobenzene	645.98
dibromomethane	1574.32
1,1,2,2-tetrachloroethane	2114.87
2-methyl-cyclohexyl acetate	269.49
tetrabutyl urea	174.86
diisobutyl methanol	154.01
2-phenylethanol	365.59
styrene	256.95
dioctyl adipate	197.24
dimethyl sulfate	365.41
ethyl butyrate	347.67
methyl lactate	350.44
butyl lactate	228.51
diethyl carbonate	278.83
propanediol butyl ether	325.2
triethyl orthoformate	253.14
p-tert-butyltoluene	137.27
methyl 4-tert-butylbenzoate	270.98
morpholine	1794.31
tert-butylamine	616.39
n-dodecanol	96.01
dimethoxymethane	623.99
ethylene carbonate	798.25
cyrene	326.45
2-ethoxyethyl acetate	353.19
2-ethylhexyl acetate	313.77
1,2,4-trichlorobenzene	679.23
4-methylpyridine	879.89
dibutyl ether	211.58
2,6-dimethyl-4-heptanol	154.01
DEF	676.46
dimethyl isosorbide	438.73
tetrachloroethylene	1850.44
eugenol	298.86
triacetin	320.23
span 80	269.68
1,4-butanediol	438.95
1,1-dichloroethane	1376.11
2-methyl-1-pentanol	427.94
methyl formate	967.32
2-methyl-1-butanol	603.84
n-decane	41.51
butyronitrile	758.54
3,7-dimethyl-1-octanol	195.2
1-chlorooctane	164.61
1-chlorotetradecane	65.14
n-nonane	42.21
undecane	30.44
tert-butylcyclohexane	66.56
cyclooctane	72.47
cyclopentanol	894.55
tetrahydropyran	1319.58
tert-amyl methyl ether	419.12
2,5,8-trioxanonane	452.64
1-hexene	211.86
2-isopropoxyethanol	516.27
2,2,2-trifluoroethanol	977.64
methyl butyrate	574.11

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