Molecular formula
C12H22O2

SMILES
CCCCC/C=C\C(=O)OCCCC

Fragrance
Fruity	83.75%
Green	81.41%
Fatty	70.24%
Waxy	67.32%
Pear	58.72%
Tropical	49.22%
Oily	46.53%
Melon	44.63%
Apple	42.95%
Fresh	40.35%

 

Flavor
Fruity	77.31%
Green	73.48%
Waxy	55.68%
Apple	48.87%
Pear	46.36%
Tropical	40.3%
Fatty	38.9%
Oily	32.37%
Pineapple	30.66%
Fruit	30.37%

 

Odor impact est.
High

XLogP3-AA
4.2

pKa est.
7.55 (neutral)

Molecular weight
198.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
245°C

Flash point

• 107.19 ˚C est.

• Butyl 2-octenoate
• EINECS 260-720-8
• butyl cis-2-octenoate
• JACBBOONWJFMBB-KTKRTIGZSA-N

Butyl 2-octenoate is an unsaturated aliphatic ester that is primarily used as a fragrance ingredient in perfumery and cosmetics; it may also be used as a flavor/aroma ingredient in select food formulations within regulatory limits; it can serve as a chemical intermediate or precursor in organic synthesis; it is employed in household cleaning products as a fragrance additive; it has potential use in coatings or inks to impart a fruity note, with application subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	8557.05
methanol	8783.56
isopropanol	6268.18
water	0.09
ethyl acetate	8183.57
n-propanol	6041.93
acetone	13920.33
n-butanol	5545.85
acetonitrile	6804.41
DMF	9773.6
toluene	2958.29
isobutanol	4620.01
1,4-dioxane	6067.33
methyl acetate	5060.35
THF	10276.92
2-butanone	8518.9
n-pentanol	3424.89
sec-butanol	5457.44
n-hexane	1581.81
ethylene glycol	471.14
NMP	6372.12
cyclohexane	2271.06
DMSO	10607.86
n-butyl acetate	5463.43
n-octanol	1161.94
chloroform	9865.96
n-propyl acetate	4271.0
acetic acid	4342.18
dichloromethane	11515.92
cyclohexanone	11077.17
propylene glycol	1015.84
isopropyl acetate	4396.29
DMAc	4977.55
2-ethoxyethanol	2893.26
isopentanol	4387.7
n-heptane	464.91
ethyl formate	3209.81
1,2-dichloroethane	10091.0
n-hexanol	3306.53
2-methoxyethanol	5668.08
isobutyl acetate	2047.16
tetrachloromethane	1460.67
n-pentyl acetate	2528.47
transcutol	9415.58
n-heptanol	1082.77
ethylbenzene	1375.97
MIBK	3280.09
2-propoxyethanol	3579.44
tert-butanol	6243.17
MTBE	6953.86
2-butoxyethanol	1762.24
propionic acid	3275.18
o-xylene	1393.41
formic acid	723.5
diethyl ether	7868.76
m-xylene	1653.48
p-xylene	1680.76
chlorobenzene	3736.99
dimethyl carbonate	1158.72
n-octane	175.17
formamide	1488.17
cyclopentanone	8871.09
2-pentanone	8203.8
anisole	2287.79
cyclopentyl methyl ether	6000.74
gamma-butyrolactone	7793.49
1-methoxy-2-propanol	4351.52
pyridine	7627.25
3-pentanone	4725.28
furfural	4807.2
n-dodecane	102.53
diethylene glycol	1834.43
diisopropyl ether	1968.23
tert-amyl alcohol	5125.8
acetylacetone	5813.62
n-hexadecane	124.38
acetophenone	2088.57
methyl propionate	4804.56
isopentyl acetate	4106.23
trichloroethylene	14795.72
n-nonanol	975.24
cyclohexanol	5430.01
benzyl alcohol	1773.84
2-ethylhexanol	1973.19
isooctanol	934.64
dipropyl ether	2716.13
1,2-dichlorobenzene	2876.66
ethyl lactate	1029.93
propylene carbonate	3640.19
n-methylformamide	3997.04
2-pentanol	4232.95
n-pentane	1073.6
1-propoxy-2-propanol	3067.95
1-methoxy-2-propyl acetate	3160.37
2-(2-methoxypropoxy) propanol	1496.22
mesitylene	948.6
ε-caprolactone	6977.01
p-cymene	682.7
epichlorohydrin	9029.29
1,1,1-trichloroethane	7650.02
2-aminoethanol	1667.9
morpholine-4-carbaldehyde	4486.06
sulfolane	7925.96
2,2,4-trimethylpentane	343.6
2-methyltetrahydrofuran	9816.83
n-hexyl acetate	3144.95
isooctane	293.77
2-(2-butoxyethoxy)ethanol	2380.32
sec-butyl acetate	2597.28
tert-butyl acetate	3703.67
decalin	616.49
glycerin	964.95
diglyme	4245.59
acrylic acid	2238.57
isopropyl myristate	944.55
n-butyric acid	6490.47
acetyl acetate	3146.22
di(2-ethylhexyl) phthalate	709.66
ethyl propionate	3409.45
nitromethane	7761.28
1,2-diethoxyethane	4414.53
benzonitrile	2963.01
trioctyl phosphate	539.33
1-bromopropane	7179.08
gamma-valerolactone	8221.33
n-decanol	653.7
triethyl phosphate	792.54
4-methyl-2-pentanol	1690.98
propionitrile	4781.96
vinylene carbonate	2970.1
1,1,2-trichlorotrifluoroethane	4503.82
DMS	1819.0
cumene	761.38
2-octanol	905.44
2-hexanone	4527.83
octyl acetate	1182.66
limonene	1383.52
1,2-dimethoxyethane	5506.32
ethyl orthosilicate	804.45
tributyl phosphate	799.79
diacetone alcohol	3117.46
N,N-dimethylaniline	1367.38
acrylonitrile	4961.47
aniline	3088.98
1,3-propanediol	2696.22
bromobenzene	4342.59
dibromomethane	8639.71
1,1,2,2-tetrachloroethane	10944.92
2-methyl-cyclohexyl acetate	1648.46
tetrabutyl urea	1046.26
diisobutyl methanol	978.64
2-phenylethanol	1707.85
styrene	2122.34
dioctyl adipate	1245.0
dimethyl sulfate	1601.51
ethyl butyrate	2847.45
methyl lactate	1368.83
butyl lactate	1536.53
diethyl carbonate	1446.21
propanediol butyl ether	1672.37
triethyl orthoformate	1442.76
p-tert-butyltoluene	645.6
methyl 4-tert-butylbenzoate	1298.59
morpholine	10021.48
tert-butylamine	4398.57
n-dodecanol	475.35
dimethoxymethane	4611.2
ethylene carbonate	2697.3
cyrene	1113.75
2-ethoxyethyl acetate	2733.24
2-ethylhexyl acetate	3007.88
1,2,4-trichlorobenzene	3114.83
4-methylpyridine	7553.31
dibutyl ether	2624.06
2,6-dimethyl-4-heptanol	978.64
DEF	7175.65
dimethyl isosorbide	2382.24
tetrachloroethylene	6445.58
eugenol	1275.5
triacetin	1905.19
span 80	1608.31
1,4-butanediol	940.26
1,1-dichloroethane	9665.58
2-methyl-1-pentanol	2837.59
methyl formate	2314.1
2-methyl-1-butanol	4285.28
n-decane	206.99
butyronitrile	6645.35
3,7-dimethyl-1-octanol	1315.53
1-chlorooctane	1083.34
1-chlorotetradecane	337.87
n-nonane	230.67
undecane	138.74
tert-butylcyclohexane	506.29
cyclooctane	471.13
cyclopentanol	4581.29
tetrahydropyran	11779.14
tert-amyl methyl ether	4118.2
2,5,8-trioxanonane	2534.33
1-hexene	4606.58
2-isopropoxyethanol	2160.14
2,2,2-trifluoroethanol	795.71
methyl butyrate	5259.55

Scent© AI