Molecular formula
C12H20O2

SMILES
C/C=C/C(=O)OC(C)C1CCCCC1

Safety labels

Fragrance
Fruity	88.16%
Green	68.27%
Tropical	46.49%
Apple	45.06%
Floral	42.98%
Pineapple	39.94%
Sweet	38.75%
Fresh	38.68%
Waxy	38.65%
Herbal	36.59%

 

Flavor
Fruity	42.5%
Tropical	22.5%
Sweet	21.18%
Spicy	19.31%
Cucumber skin	18.83%
Leaves	18.76%
Ethyl benzoate	18.71%
Cuminseed	18.68%
Pear skin	18.62%
Broccoli	18.4%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
7.72 (neutral)

Molecular weight
196.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
249°C

Flash point

• 107.39 ˚C est.

• 1-cyclohexylethyl (E)-but-2-enoate
• 2-Butenoicacid, 1-cyclohexylethyl ester
• Cyclohexyl methyl carbinol crotonate
• EINECS 268-276-7
• SCHEMBL271977
• SCHEMBL271978
• 2-Butenoicacid,1-cyclohexylethyl ester
• 944-449-9

1-cyclohexylethyl (E)-but-2-enoate is primarily encountered as a fragrance ingredient and odorant in perfumery and cosmetics, contributing a characteristic aroma and potentially functioning as a fixative in complex formulations; it may be evaluated for use as a flavor/aroma compound in food processing; it can serve as an industrial manufacturing intermediate for the synthesis of specialty esters and related chemicals; and it has potential as a specialty monomer or plasticizer in polymer formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2499.61
methanol	2383.54
isopropanol	2386.05
water	0.15
ethyl acetate	2209.26
n-propanol	2105.37
acetone	3389.08
n-butanol	1983.55
acetonitrile	2348.64
DMF	2514.1
toluene	1257.31
isobutanol	1654.98
1,4-dioxane	2769.43
methyl acetate	1593.09
THF	3927.39
2-butanone	2310.73
n-pentanol	1205.08
sec-butanol	1994.48
n-hexane	451.6
ethylene glycol	125.51
NMP	1921.92
cyclohexane	853.24
DMSO	2070.28
n-butyl acetate	1884.84
n-octanol	478.24
chloroform	6274.99
n-propyl acetate	1170.75
acetic acid	1342.44
dichloromethane	5067.12
cyclohexanone	3459.7
propylene glycol	328.2
isopropyl acetate	1376.05
DMAc	1342.45
2-ethoxyethanol	832.57
isopentanol	1700.26
n-heptane	138.21
ethyl formate	1160.74
1,2-dichloroethane	3469.96
n-hexanol	1425.0
2-methoxyethanol	1522.39
isobutyl acetate	717.45
tetrachloromethane	719.76
n-pentyl acetate	851.26
transcutol	3352.96
n-heptanol	459.99
ethylbenzene	534.09
MIBK	1084.46
2-propoxyethanol	1364.47
tert-butanol	2291.35
MTBE	2402.41
2-butoxyethanol	661.75
propionic acid	1119.38
o-xylene	588.24
formic acid	241.42
diethyl ether	2621.55
m-xylene	697.65
p-xylene	697.31
chlorobenzene	1866.19
dimethyl carbonate	381.23
n-octane	63.6
formamide	416.77
cyclopentanone	3017.15
2-pentanone	2127.93
anisole	867.98
cyclopentyl methyl ether	1921.64
gamma-butyrolactone	2869.58
1-methoxy-2-propanol	1271.74
pyridine	2918.29
3-pentanone	1302.75
furfural	1923.47
n-dodecane	47.39
diethylene glycol	674.24
diisopropyl ether	677.19
tert-amyl alcohol	1770.77
acetylacetone	1579.26
n-hexadecane	57.71
acetophenone	724.3
methyl propionate	1246.6
isopentyl acetate	1528.8
trichloroethylene	5386.8
n-nonanol	404.87
cyclohexanol	1980.02
benzyl alcohol	682.38
2-ethylhexanol	706.87
isooctanol	388.02
dipropyl ether	836.43
1,2-dichlorobenzene	1345.49
ethyl lactate	337.14
propylene carbonate	1485.0
n-methylformamide	1052.77
2-pentanol	1490.49
n-pentane	362.91
1-propoxy-2-propanol	1112.25
1-methoxy-2-propyl acetate	1093.55
2-(2-methoxypropoxy) propanol	636.04
mesitylene	428.81
ε-caprolactone	2424.02
p-cymene	290.17
epichlorohydrin	3318.51
1,1,1-trichloroethane	3071.92
2-aminoethanol	458.62
morpholine-4-carbaldehyde	1525.02
sulfolane	2520.39
2,2,4-trimethylpentane	130.41
2-methyltetrahydrofuran	3374.2
n-hexyl acetate	1126.55
isooctane	114.28
2-(2-butoxyethoxy)ethanol	935.43
sec-butyl acetate	792.84
tert-butyl acetate	1166.55
decalin	226.07
glycerin	332.46
diglyme	1569.43
acrylic acid	789.47
isopropyl myristate	384.58
n-butyric acid	2148.57
acetyl acetate	1015.91
di(2-ethylhexyl) phthalate	326.81
ethyl propionate	933.15
nitromethane	1920.99
1,2-diethoxyethane	1438.77
benzonitrile	1333.13
trioctyl phosphate	240.85
1-bromopropane	2567.64
gamma-valerolactone	2681.81
n-decanol	288.16
triethyl phosphate	290.57
4-methyl-2-pentanol	666.04
propionitrile	1894.36
vinylene carbonate	1303.04
1,1,2-trichlorotrifluoroethane	1507.97
DMS	674.42
cumene	336.58
2-octanol	362.01
2-hexanone	1285.59
octyl acetate	494.64
limonene	501.62
1,2-dimethoxyethane	1837.22
ethyl orthosilicate	294.82
tributyl phosphate	321.4
diacetone alcohol	999.92
N,N-dimethylaniline	507.86
acrylonitrile	1675.09
aniline	1308.64
1,3-propanediol	872.74
bromobenzene	2151.83
dibromomethane	3862.35
1,1,2,2-tetrachloroethane	4514.15
2-methyl-cyclohexyl acetate	608.88
tetrabutyl urea	371.35
diisobutyl methanol	377.7
2-phenylethanol	752.51
styrene	786.86
dioctyl adipate	490.33
dimethyl sulfate	508.28
ethyl butyrate	887.45
methyl lactate	415.14
butyl lactate	546.58
diethyl carbonate	550.23
propanediol butyl ether	637.84
triethyl orthoformate	512.7
p-tert-butyltoluene	277.01
methyl 4-tert-butylbenzoate	558.94
morpholine	3397.56
tert-butylamine	1599.44
n-dodecanol	212.41
dimethoxymethane	1256.44
ethylene carbonate	1201.65
cyrene	465.07
2-ethoxyethyl acetate	940.03
2-ethylhexyl acetate	1070.15
1,2,4-trichlorobenzene	1455.8
4-methylpyridine	2835.53
dibutyl ether	809.6
2,6-dimethyl-4-heptanol	377.7
DEF	1748.13
dimethyl isosorbide	1000.58
tetrachloroethylene	2550.92
eugenol	543.36
triacetin	725.16
span 80	638.31
1,4-butanediol	298.07
1,1-dichloroethane	4138.11
2-methyl-1-pentanol	1000.21
methyl formate	700.66
2-methyl-1-butanol	1564.24
n-decane	88.07
butyronitrile	2423.85
3,7-dimethyl-1-octanol	514.93
1-chlorooctane	436.43
1-chlorotetradecane	151.76
n-nonane	90.63
undecane	61.17
tert-butylcyclohexane	184.17
cyclooctane	190.4
cyclopentanol	1722.75
tetrahydropyran	4212.4
tert-amyl methyl ether	1298.98
2,5,8-trioxanonane	959.01
1-hexene	1412.04
2-isopropoxyethanol	666.13
2,2,2-trifluoroethanol	299.72
methyl butyrate	1426.82

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