Molecular formula
C14H26O2

SMILES
CCCCCCCCCCOC(=O)/C=C/C

Fragrance
Fruity	73.85%
Waxy	63.22%
Floral	59.79%
Fatty	56.83%
Green	48.97%
Oily	48.73%
Herbal	47.75%
Fresh	47.45%
Rose	43.73%
Citrus	39.73%

 

Flavor
Fruity	58.77%
Waxy	58.52%
Green	55.57%
Fatty	38.3%
Oily	36.97%
Herbal	33.65%
Pear	32.15%
Sweet	31.21%
Tropical	29.38%
Apple	28.29%

 

Odor impact est.
Medium

XLogP3-AA
5.3

pKa est.
7.27 (neutral)

Molecular weight
226.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
283°C

Flash point

• 121.86 ˚C est.

• decyl 2E-butenoate
• WE(10:0/4:1(2E))
• Decylcrotonat
• decyl (E)-but-2-enoate
• SCHEMBL1338745
• SCHEMBL1338747
• CHEBI:179332
• LMFA07010514

Decyl 2E-butenoate is the ester of decanol and trans-2-butenoic acid (crotonic acid), used primarily as an intermediate in organic synthesis and as a solvent or processing aid for a range of industrial formulations. Real-world applications include acting as a reactive monomer or diluent in polymer and coating systems (including UV-curable coatings); serving as a plasticizer or processing aid in plastics and adhesives; functioning as a fragrance solvent or fixative in perfumery and cosmetics; used as a solvent in household cleaning formulations; and as an intermediate in the production of specialty esters and other fine chemicals. It may be considered for cosmetic and fragrance applications within regulatory limits. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5150.86
methanol	4395.29
isopropanol	5970.51
water	0.03
ethyl acetate	7249.27
n-propanol	5268.64
acetone	12202.67
n-butanol	4892.56
acetonitrile	5298.63
DMF	6658.16
toluene	2703.72
isobutanol	4415.09
1,4-dioxane	5893.56
methyl acetate	4602.42
THF	10210.79
2-butanone	8635.45
n-pentanol	3275.3
sec-butanol	5554.16
n-hexane	2403.51
ethylene glycol	160.03
NMP	4943.87
cyclohexane	3703.61
DMSO	6894.85
n-butyl acetate	5628.15
n-octanol	1232.28
chloroform	9577.57
n-propyl acetate	5421.85
acetic acid	2404.35
dichloromethane	10435.93
cyclohexanone	11750.35
propylene glycol	504.4
isopropyl acetate	4445.43
DMAc	3980.03
2-ethoxyethanol	2611.21
isopentanol	4266.7
n-heptane	761.36
ethyl formate	2783.13
1,2-dichloroethane	9004.51
n-hexanol	2802.62
2-methoxyethanol	4055.48
isobutyl acetate	2603.61
tetrachloromethane	1827.42
n-pentyl acetate	3211.5
transcutol	7281.52
n-heptanol	1109.79
ethylbenzene	1420.84
MIBK	3761.75
2-propoxyethanol	3027.21
tert-butanol	6176.49
MTBE	7997.33
2-butoxyethanol	1748.23
propionic acid	2468.8
o-xylene	1367.11
formic acid	278.8
diethyl ether	9327.8
m-xylene	1526.61
p-xylene	1818.51
chlorobenzene	3339.98
dimethyl carbonate	834.9
n-octane	268.24
formamide	632.44
cyclopentanone	8918.25
2-pentanone	8413.6
anisole	2039.12
cyclopentyl methyl ether	7001.2
gamma-butyrolactone	6932.49
1-methoxy-2-propanol	3500.72
pyridine	6551.18
3-pentanone	4759.4
furfural	3952.88
n-dodecane	124.52
diethylene glycol	1114.26
diisopropyl ether	2303.71
tert-amyl alcohol	5176.88
acetylacetone	4751.06
n-hexadecane	155.49
acetophenone	1900.22
methyl propionate	4141.35
isopentyl acetate	4214.13
trichloroethylene	11673.53
n-nonanol	1013.48
cyclohexanol	5550.45
benzyl alcohol	1430.47
2-ethylhexanol	1946.03
isooctanol	1052.87
dipropyl ether	3726.2
1,2-dichlorobenzene	2725.78
ethyl lactate	1030.97
propylene carbonate	3397.7
n-methylformamide	2665.04
2-pentanol	4333.37
n-pentane	1470.16
1-propoxy-2-propanol	2921.42
1-methoxy-2-propyl acetate	2909.8
2-(2-methoxypropoxy) propanol	1290.02
mesitylene	1015.13
ε-caprolactone	7076.14
p-cymene	733.3
epichlorohydrin	7973.19
1,1,1-trichloroethane	8142.35
2-aminoethanol	812.06
morpholine-4-carbaldehyde	3653.13
sulfolane	7058.53
2,2,4-trimethylpentane	414.86
2-methyltetrahydrofuran	10555.11
n-hexyl acetate	3465.21
isooctane	342.24
2-(2-butoxyethoxy)ethanol	1978.74
sec-butyl acetate	3308.12
tert-butyl acetate	4026.28
decalin	783.19
glycerin	462.24
diglyme	3860.89
acrylic acid	1301.95
isopropyl myristate	1025.94
n-butyric acid	5404.96
acetyl acetate	2476.04
di(2-ethylhexyl) phthalate	664.74
ethyl propionate	4020.94
nitromethane	4863.92
1,2-diethoxyethane	4456.89
benzonitrile	2580.02
trioctyl phosphate	550.03
1-bromopropane	7899.17
gamma-valerolactone	8024.0
n-decanol	649.4
triethyl phosphate	873.81
4-methyl-2-pentanol	1791.96
propionitrile	4616.83
vinylene carbonate	2525.16
1,1,2-trichlorotrifluoroethane	3557.39
DMS	1612.0
cumene	812.22
2-octanol	1044.72
2-hexanone	5383.92
octyl acetate	1261.74
limonene	1564.65
1,2-dimethoxyethane	5825.14
ethyl orthosilicate	905.56
tributyl phosphate	786.24
diacetone alcohol	3030.67
N,N-dimethylaniline	1286.46
acrylonitrile	3852.08
aniline	2499.89
1,3-propanediol	1626.87
bromobenzene	4042.28
dibromomethane	8447.35
1,1,2,2-tetrachloroethane	9812.6
2-methyl-cyclohexyl acetate	1821.51
tetrabutyl urea	1026.31
diisobutyl methanol	1058.34
2-phenylethanol	1389.19
styrene	2029.58
dioctyl adipate	1327.91
dimethyl sulfate	1248.49
ethyl butyrate	3290.02
methyl lactate	991.73
butyl lactate	1643.7
diethyl carbonate	1582.96
propanediol butyl ether	1395.31
triethyl orthoformate	1726.93
p-tert-butyltoluene	687.38
methyl 4-tert-butylbenzoate	1337.81
morpholine	9293.48
tert-butylamine	4510.95
n-dodecanol	474.17
dimethoxymethane	3753.19
ethylene carbonate	2523.64
cyrene	1053.44
2-ethoxyethyl acetate	2751.81
2-ethylhexyl acetate	3231.57
1,2,4-trichlorobenzene	2870.28
4-methylpyridine	6340.6
dibutyl ether	3505.75
2,6-dimethyl-4-heptanol	1058.34
DEF	6840.39
dimethyl isosorbide	2284.08
tetrachloroethylene	5916.05
eugenol	1144.77
triacetin	1972.87
span 80	1435.12
1,4-butanediol	612.44
1,1-dichloroethane	9982.93
2-methyl-1-pentanol	2778.4
methyl formate	1462.8
2-methyl-1-butanol	4050.65
n-decane	290.29
butyronitrile	6222.22
3,7-dimethyl-1-octanol	1282.02
1-chlorooctane	1368.36
1-chlorotetradecane	392.52
n-nonane	332.61
undecane	176.67
tert-butylcyclohexane	616.94
cyclooctane	741.19
cyclopentanol	4909.34
tetrahydropyran	13691.25
tert-amyl methyl ether	4726.04
2,5,8-trioxanonane	2121.69
1-hexene	5989.83
2-isopropoxyethanol	2142.18
2,2,2-trifluoroethanol	504.35
methyl butyrate	5880.23

Scent© AI