Molecular formula
C9H14O2

SMILES
CCCC#CCCC(=O)OC

Fragrance
Green	82.75%
Fruity	77.48%
Sweet	51.24%
Floral	50.75%
Waxy	47.21%
Tropical	43.16%
Leafy	40.99%
Fatty	39.27%
Apple	38.03%
Melon	37.52%

 

Flavor
Fruity	45.88%
Tropical	23.43%
Floral	22.83%
Mild	20.12%
Acrid	19.31%
Parsley	19.17%
Pulpy	19.15%
Genet	18.68%
Cut privet	18.66%
Sandalwood	18.63%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.23 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
205°C

Flash point

• 78.33 ˚C est.

• SCHEMBL14997651

Methyl oct-4-ynoate is a versatile alkyne-functional building block used in organic synthesis and materials development. It serves as a reactive monomer or intermediate in polymer chemistry, enabling the synthesis of functional polyesters and crosslinked networks via azide–alkyne cycloadditions (click chemistry) or other coupling methods. In coatings and adhesives, it acts as a crosslinkable or functionalized monomer to impart alkyne functionality for post-functionalization or curing. It provides a handle for click chemistry and related surface modification, supporting the preparation of functional materials and ligands. In pharmaceutical and fine chemical synthesis, it is used as a precursor to propargyl derivatives and other functionalized intermediates, broadening its use in pharmaceuticals and specialty chemicals. Overall, its role is as an alkyne-bearing methyl ester intermediate used across polymer science, surface engineering, and synthetic chemistry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2775.08
methanol	4103.37
isopropanol	1737.02
water	3.65
ethyl acetate	2336.72
n-propanol	1665.61
acetone	4641.6
n-butanol	1473.92
acetonitrile	3906.82
DMF	5067.03
toluene	595.37
isobutanol	1095.85
1,4-dioxane	2564.39
methyl acetate	2023.84
THF	2622.83
2-butanone	2289.15
n-pentanol	1088.97
sec-butanol	1237.73
n-hexane	164.05
ethylene glycol	679.61
NMP	3210.57
cyclohexane	154.8
DMSO	6883.57
n-butyl acetate	1370.88
n-octanol	342.94
chloroform	4229.37
n-propyl acetate	1526.9
acetic acid	3891.29
dichloromethane	4878.72
cyclohexanone	2547.32
propylene glycol	664.07
isopropyl acetate	1184.31
DMAc	3102.67
2-ethoxyethanol	2042.15
isopentanol	1213.64
n-heptane	56.84
ethyl formate	1465.18
1,2-dichloroethane	2935.53
n-hexanol	679.23
2-methoxyethanol	3068.12
isobutyl acetate	764.14
tetrachloromethane	621.92
n-pentyl acetate	729.65
transcutol	6079.9
n-heptanol	262.97
ethylbenzene	360.46
MIBK	909.81
2-propoxyethanol	1366.4
tert-butanol	2053.71
MTBE	1582.83
2-butoxyethanol	705.37
propionic acid	1950.58
o-xylene	359.63
formic acid	1769.77
diethyl ether	1795.87
m-xylene	389.97
p-xylene	470.68
chlorobenzene	1023.26
dimethyl carbonate	645.73
n-octane	25.35
formamide	2950.97
cyclopentanone	3010.29
2-pentanone	1877.56
anisole	1002.13
cyclopentyl methyl ether	1262.47
gamma-butyrolactone	3286.28
1-methoxy-2-propanol	1867.34
pyridine	2288.92
3-pentanone	1218.91
furfural	2773.99
n-dodecane	22.01
diethylene glycol	1213.37
diisopropyl ether	366.26
tert-amyl alcohol	1525.96
acetylacetone	2240.93
n-hexadecane	25.53
acetophenone	987.59
methyl propionate	1567.84
isopentyl acetate	1019.98
trichloroethylene	5583.29
n-nonanol	275.71
cyclohexanol	1097.43
benzyl alcohol	826.21
2-ethylhexanol	387.07
isooctanol	234.5
dipropyl ether	504.49
1,2-dichlorobenzene	989.25
ethyl lactate	536.52
propylene carbonate	1488.9
n-methylformamide	2739.09
2-pentanol	885.35
n-pentane	105.11
1-propoxy-2-propanol	901.22
1-methoxy-2-propyl acetate	1080.42
2-(2-methoxypropoxy) propanol	760.59
mesitylene	237.66
ε-caprolactone	2006.37
p-cymene	181.45
epichlorohydrin	3398.26
1,1,1-trichloroethane	2413.62
2-aminoethanol	1281.69
morpholine-4-carbaldehyde	2913.89
sulfolane	3867.25
2,2,4-trimethylpentane	67.19
2-methyltetrahydrofuran	2126.33
n-hexyl acetate	955.77
isooctane	48.09
2-(2-butoxyethoxy)ethanol	1150.57
sec-butyl acetate	840.62
tert-butyl acetate	1285.58
decalin	98.45
glycerin	997.35
diglyme	2382.95
acrylic acid	1800.55
isopropyl myristate	288.29
n-butyric acid	2510.48
acetyl acetate	1461.67
di(2-ethylhexyl) phthalate	288.0
ethyl propionate	1095.27
nitromethane	7330.64
1,2-diethoxyethane	1594.49
benzonitrile	1218.19
trioctyl phosphate	202.96
1-bromopropane	1428.48
gamma-valerolactone	3470.86
n-decanol	191.08
triethyl phosphate	344.25
4-methyl-2-pentanol	432.54
propionitrile	1840.02
vinylene carbonate	1453.3
1,1,2-trichlorotrifluoroethane	2687.29
DMS	871.53
cumene	237.64
2-octanol	212.58
2-hexanone	1338.57
octyl acetate	372.51
limonene	288.33
1,2-dimethoxyethane	2886.37
ethyl orthosilicate	334.6
tributyl phosphate	332.23
diacetone alcohol	1364.63
N,N-dimethylaniline	621.93
acrylonitrile	2502.89
aniline	1028.83
1,3-propanediol	1616.88
bromobenzene	1124.18
dibromomethane	2856.57
1,1,2,2-tetrachloroethane	3995.01
2-methyl-cyclohexyl acetate	549.86
tetrabutyl urea	414.85
diisobutyl methanol	235.59
2-phenylethanol	569.08
styrene	545.53
dioctyl adipate	485.72
dimethyl sulfate	1247.07
ethyl butyrate	834.82
methyl lactate	682.3
butyl lactate	610.54
diethyl carbonate	593.37
propanediol butyl ether	839.88
triethyl orthoformate	508.33
p-tert-butyltoluene	170.13
methyl 4-tert-butylbenzoate	588.44
morpholine	3315.08
tert-butylamine	1204.97
n-dodecanol	140.23
dimethoxymethane	1793.61
ethylene carbonate	1233.45
cyrene	722.04
2-ethoxyethyl acetate	1195.41
2-ethylhexyl acetate	773.65
1,2,4-trichlorobenzene	1143.97
4-methylpyridine	2225.26
dibutyl ether	557.16
2,6-dimethyl-4-heptanol	235.59
DEF	2393.15
dimethyl isosorbide	1159.0
tetrachloroethylene	2658.65
eugenol	686.27
triacetin	961.64
span 80	641.61
1,4-butanediol	688.27
1,1-dichloroethane	2835.0
2-methyl-1-pentanol	922.15
methyl formate	1730.52
2-methyl-1-butanol	1090.65
n-decane	39.32
butyronitrile	1908.59
3,7-dimethyl-1-octanol	359.31
1-chlorooctane	231.27
1-chlorotetradecane	81.03
n-nonane	39.78
undecane	28.17
tert-butylcyclohexane	100.01
cyclooctane	41.5
cyclopentanol	1113.3
tetrahydropyran	2201.97
tert-amyl methyl ether	1026.43
2,5,8-trioxanonane	1376.44
1-hexene	613.68
2-isopropoxyethanol	1177.65
2,2,2-trifluoroethanol	1052.37
methyl butyrate	1647.13

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