Molecular formula
C9H14O2

SMILES
CCCCC#CCC(=O)OC

Fragrance
Green	88.03%
Fruity	74.71%
Floral	56.47%
Waxy	55.83%
Sweet	48.02%
Leafy	46.49%
Fatty	46.04%
Melon	43.35%
Violet	42.86%
Tropical	41.41%

 

Flavor
Fruity	37.28%
Bland	20.82%
Mild	20.63%
Acrid	19.35%
Parsley	19.32%
Pulpy	18.73%
Slightly waxy	18.69%
Bay oil	18.68%
Genet	18.63%
Cedarleaf	18.6%

 

Odor impact est.
High

XLogP3-AA
2.4

pKa est.
7.25 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
208°C

Flash point

• 82.11 ˚C est.

Methyl oct-3-ynoate is primarily used as a versatile synthetic intermediate, serving as an alkyne-functional building block for the preparation of propargyl derivatives in pharmaceutical and agrochemical research; in materials science, it is commonly exploited for click-chemistry–based surface modification, polymer conjugation, and the development of functional coatings or adhesives; it also functions as a precursor for specialty polymers and adhesive formulations after suitable functionalization; and in synthetic chemistry it supports diversification of catalyst ligands and molecular frameworks through propargyl chemistry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3328.29
methanol	4355.14
isopropanol	1836.09
water	1.6
ethyl acetate	2001.26
n-propanol	1815.44
acetone	3656.56
n-butanol	1422.18
acetonitrile	2359.27
DMF	4548.58
toluene	420.25
isobutanol	1026.6
1,4-dioxane	2330.75
methyl acetate	1632.18
THF	2131.94
2-butanone	1727.99
n-pentanol	856.95
sec-butanol	1181.46
n-hexane	69.13
ethylene glycol	930.54
NMP	1917.34
cyclohexane	100.28
DMSO	5441.15
n-butyl acetate	832.73
n-octanol	212.58
chloroform	2903.35
n-propyl acetate	874.87
acetic acid	2767.91
dichloromethane	3066.35
cyclohexanone	1946.0
propylene glycol	1107.79
isopropyl acetate	822.15
DMAc	2079.29
2-ethoxyethanol	1536.42
isopentanol	981.49
n-heptane	26.64
ethyl formate	1095.56
1,2-dichloroethane	2074.17
n-hexanol	615.82
2-methoxyethanol	3217.04
isobutyl acetate	409.49
tetrachloromethane	329.56
n-pentyl acetate	360.34
transcutol	4052.09
n-heptanol	186.47
ethylbenzene	196.2
MIBK	573.6
2-propoxyethanol	1138.93
tert-butanol	1819.38
MTBE	966.05
2-butoxyethanol	500.6
propionic acid	1640.61
o-xylene	219.41
formic acid	1223.47
diethyl ether	1165.96
m-xylene	251.56
p-xylene	260.37
chlorobenzene	656.55
dimethyl carbonate	455.81
n-octane	10.91
formamide	2137.17
cyclopentanone	2091.45
2-pentanone	1473.58
anisole	601.61
cyclopentyl methyl ether	955.89
gamma-butyrolactone	2274.74
1-methoxy-2-propanol	1802.76
pyridine	1748.69
3-pentanone	830.9
furfural	1916.82
n-dodecane	10.37
diethylene glycol	1176.28
diisopropyl ether	201.13
tert-amyl alcohol	1190.88
acetylacetone	1611.62
n-hexadecane	12.07
acetophenone	573.4
methyl propionate	1294.01
isopentyl acetate	606.04
trichloroethylene	3817.4
n-nonanol	171.79
cyclohexanol	1049.91
benzyl alcohol	610.77
2-ethylhexanol	282.62
isooctanol	152.99
dipropyl ether	313.75
1,2-dichlorobenzene	584.57
ethyl lactate	390.12
propylene carbonate	1082.68
n-methylformamide	2462.08
2-pentanol	795.73
n-pentane	51.9
1-propoxy-2-propanol	744.12
1-methoxy-2-propyl acetate	767.15
2-(2-methoxypropoxy) propanol	540.17
mesitylene	142.7
ε-caprolactone	1396.98
p-cymene	101.16
epichlorohydrin	2502.97
1,1,1-trichloroethane	1538.06
2-aminoethanol	1545.8
morpholine-4-carbaldehyde	2038.3
sulfolane	2509.38
2,2,4-trimethylpentane	28.56
2-methyltetrahydrofuran	1608.22
n-hexyl acetate	526.13
isooctane	22.95
2-(2-butoxyethoxy)ethanol	832.35
sec-butyl acetate	461.56
tert-butyl acetate	821.59
decalin	49.16
glycerin	1304.55
diglyme	1713.23
acrylic acid	1404.23
isopropyl myristate	155.03
n-butyric acid	2023.23
acetyl acetate	990.35
di(2-ethylhexyl) phthalate	176.79
ethyl propionate	688.99
nitromethane	4746.47
1,2-diethoxyethane	888.05
benzonitrile	734.1
trioctyl phosphate	120.77
1-bromopropane	872.48
gamma-valerolactone	2536.93
n-decanol	122.45
triethyl phosphate	191.07
4-methyl-2-pentanol	312.35
propionitrile	1312.42
vinylene carbonate	1029.17
1,1,2-trichlorotrifluoroethane	2331.25
DMS	538.44
cumene	121.56
2-octanol	135.4
2-hexanone	760.43
octyl acetate	208.36
limonene	163.15
1,2-dimethoxyethane	2044.56
ethyl orthosilicate	185.05
tributyl phosphate	184.74
diacetone alcohol	1083.94
N,N-dimethylaniline	336.97
acrylonitrile	1773.34
aniline	778.92
1,3-propanediol	1802.31
bromobenzene	663.15
dibromomethane	1793.64
1,1,2,2-tetrachloroethane	3032.69
2-methyl-cyclohexyl acetate	305.21
tetrabutyl urea	237.47
diisobutyl methanol	158.79
2-phenylethanol	441.5
styrene	304.81
dioctyl adipate	287.75
dimethyl sulfate	797.44
ethyl butyrate	502.6
methyl lactate	682.15
butyl lactate	368.88
diethyl carbonate	346.78
propanediol butyl ether	679.2
triethyl orthoformate	300.89
p-tert-butyltoluene	101.44
methyl 4-tert-butylbenzoate	363.2
morpholine	3214.67
tert-butylamine	895.15
n-dodecanol	90.52
dimethoxymethane	1431.63
ethylene carbonate	852.79
cyrene	497.99
2-ethoxyethyl acetate	690.46
2-ethylhexyl acetate	411.45
1,2,4-trichlorobenzene	706.51
4-methylpyridine	1548.65
dibutyl ether	288.72
2,6-dimethyl-4-heptanol	158.79
DEF	1675.06
dimethyl isosorbide	744.34
tetrachloroethylene	1740.8
eugenol	436.28
triacetin	577.61
span 80	469.99
1,4-butanediol	626.74
1,1-dichloroethane	1863.7
2-methyl-1-pentanol	611.21
methyl formate	1485.91
2-methyl-1-butanol	910.48
n-decane	17.67
butyronitrile	1346.76
3,7-dimethyl-1-octanol	229.75
1-chlorooctane	118.38
1-chlorotetradecane	42.98
n-nonane	17.14
undecane	12.97
tert-butylcyclohexane	47.3
cyclooctane	23.41
cyclopentanol	1052.51
tetrahydropyran	1908.82
tert-amyl methyl ether	576.1
2,5,8-trioxanonane	1001.76
1-hexene	332.95
2-isopropoxyethanol	806.36
2,2,2-trifluoroethanol	657.87
methyl butyrate	1036.76

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