Molecular formula
C9H16O2

SMILES
CCCCC=CCC(=O)OC

Fragrance
Fruity	93.39%
Green	90.26%
Pear	66.87%
Tropical	63.52%
Waxy	63.45%
Melon	61.08%
Fatty	58.51%
Apple	55.82%
Pineapple	54.24%
Fresh	48.19%

 

Flavor
Fruity	52.57%
Floral	36.87%
Waxy	35.17%
Tropical	30.53%
Green	30.47%
Oily	29.57%
Fatty	28.35%
Pear	27.3%
Fresh	26.81%
Melon	22.93%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
8.62 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
198°C

Flash point

• 71.45 ˚C est.

• 3-octenoic acid methyl ester
• HAGXFSMJELVHFJ-UHFFFAOYSA-N
• NS00055582

3-Octenoic acid methyl ester is primarily used as an odorant/fragrance ingredient in perfumery and cosmetics, and may also appear as a flavor-related aroma component in food or beverage applications under applicable regulations. It serves as an intermediate in organic synthesis for specialty chemicals, and can function as a processing aid or plasticizer in polymers and coatings. It may also act as a solvent or co-solvent in certain industrial formulations or cleaning products, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2895.99
methanol	3005.41
isopropanol	2102.03
water	0.27
ethyl acetate	1882.19
n-propanol	1943.89
acetone	3178.33
n-butanol	1578.21
acetonitrile	1806.97
DMF	2752.01
toluene	665.35
isobutanol	1288.94
1,4-dioxane	2353.4
methyl acetate	1389.8
THF	2716.46
2-butanone	1927.76
n-pentanol	1099.58
sec-butanol	1580.66
n-hexane	217.49
ethylene glycol	354.43
NMP	1731.26
cyclohexane	232.45
DMSO	3667.98
n-butyl acetate	1101.59
n-octanol	303.71
chloroform	2900.79
n-propyl acetate	946.17
acetic acid	1803.66
dichloromethane	2800.59
cyclohexanone	2129.81
propylene glycol	708.27
isopropyl acetate	929.26
DMAc	1484.56
2-ethoxyethanol	1268.7
isopentanol	1221.88
n-heptane	64.66
ethyl formate	786.04
1,2-dichloroethane	1963.91
n-hexanol	926.95
2-methoxyethanol	2160.8
isobutyl acetate	500.98
tetrachloromethane	412.57
n-pentyl acetate	486.9
transcutol	4113.56
n-heptanol	280.8
ethylbenzene	317.15
MIBK	730.85
2-propoxyethanol	1273.15
tert-butanol	2438.43
MTBE	1760.65
2-butoxyethanol	563.09
propionic acid	1223.7
o-xylene	358.34
formic acid	424.56
diethyl ether	1813.8
m-xylene	425.75
p-xylene	375.53
chlorobenzene	775.74
dimethyl carbonate	323.06
n-octane	24.06
formamide	677.67
cyclopentanone	2177.79
2-pentanone	1591.12
anisole	695.17
cyclopentyl methyl ether	1418.35
gamma-butyrolactone	2081.99
1-methoxy-2-propanol	1630.65
pyridine	1857.18
3-pentanone	938.91
furfural	1447.86
n-dodecane	18.5
diethylene glycol	869.98
diisopropyl ether	366.3
tert-amyl alcohol	1804.25
acetylacetone	1365.24
n-hexadecane	22.07
acetophenone	567.23
methyl propionate	1150.46
isopentyl acetate	872.08
trichloroethylene	3321.55
n-nonanol	256.06
cyclohexanol	1346.6
benzyl alcohol	620.7
2-ethylhexanol	484.52
isooctanol	238.43
dipropyl ether	543.76
1,2-dichlorobenzene	652.6
ethyl lactate	336.28
propylene carbonate	920.81
n-methylformamide	1249.43
2-pentanol	1067.76
n-pentane	142.28
1-propoxy-2-propanol	939.25
1-methoxy-2-propyl acetate	872.5
2-(2-methoxypropoxy) propanol	636.66
mesitylene	244.18
ε-caprolactone	1470.87
p-cymene	160.31
epichlorohydrin	2418.94
1,1,1-trichloroethane	1771.56
2-aminoethanol	902.25
morpholine-4-carbaldehyde	1519.89
sulfolane	2414.92
2,2,4-trimethylpentane	74.62
2-methyltetrahydrofuran	2482.18
n-hexyl acetate	681.53
isooctane	56.45
2-(2-butoxyethoxy)ethanol	931.72
sec-butyl acetate	596.48
tert-butyl acetate	946.2
decalin	109.7
glycerin	701.28
diglyme	1561.92
acrylic acid	882.77
isopropyl myristate	224.63
n-butyric acid	1689.36
acetyl acetate	747.42
di(2-ethylhexyl) phthalate	223.78
ethyl propionate	742.06
nitromethane	2396.25
1,2-diethoxyethane	1211.65
benzonitrile	766.37
trioctyl phosphate	154.81
1-bromopropane	1321.64
gamma-valerolactone	2074.86
n-decanol	181.37
triethyl phosphate	228.39
4-methyl-2-pentanol	470.86
propionitrile	1216.5
vinylene carbonate	807.62
1,1,2-trichlorotrifluoroethane	1698.55
DMS	519.92
cumene	195.27
2-octanol	214.47
2-hexanone	997.32
octyl acetate	287.55
limonene	285.99
1,2-dimethoxyethane	1752.42
ethyl orthosilicate	233.54
tributyl phosphate	227.01
diacetone alcohol	1057.03
N,N-dimethylaniline	404.27
acrylonitrile	1399.22
aniline	955.7
1,3-propanediol	1186.09
bromobenzene	844.94
dibromomethane	2010.84
1,1,2,2-tetrachloroethane	2763.3
2-methyl-cyclohexyl acetate	424.76
tetrabutyl urea	282.93
diisobutyl methanol	249.1
2-phenylethanol	549.12
styrene	465.37
dioctyl adipate	363.03
dimethyl sulfate	548.12
ethyl butyrate	621.01
methyl lactate	491.27
butyl lactate	420.51
diethyl carbonate	371.68
propanediol butyl ether	680.24
triethyl orthoformate	371.74
p-tert-butyltoluene	161.53
methyl 4-tert-butylbenzoate	414.75
morpholine	3314.04
tert-butylamine	1473.51
n-dodecanol	131.55
dimethoxymethane	1250.42
ethylene carbonate	669.65
cyrene	505.38
2-ethoxyethyl acetate	743.05
2-ethylhexyl acetate	627.87
1,2,4-trichlorobenzene	765.68
4-methylpyridine	1758.97
dibutyl ether	486.33
2,6-dimethyl-4-heptanol	249.1
DEF	1542.03
dimethyl isosorbide	894.15
tetrachloroethylene	1612.63
eugenol	460.69
triacetin	610.97
span 80	573.66
1,4-butanediol	459.59
1,1-dichloroethane	2079.25
2-methyl-1-pentanol	915.81
methyl formate	740.34
2-methyl-1-butanol	1180.54
n-decane	33.98
butyronitrile	1346.98
3,7-dimethyl-1-octanol	345.33
1-chlorooctane	206.79
1-chlorotetradecane	72.26
n-nonane	35.42
undecane	23.9
tert-butylcyclohexane	103.7
cyclooctane	57.75
cyclopentanol	1319.48
tetrahydropyran	2728.5
tert-amyl methyl ether	1038.15
2,5,8-trioxanonane	1016.8
1-hexene	837.53
2-isopropoxyethanol	858.43
2,2,2-trifluoroethanol	341.44
methyl butyrate	1046.75

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