Molecular formula
C9H14O2

SMILES
CC#CCCCCC(=O)OC

Fragrance
Fruity	74.77%
Green	72.58%
Floral	59.4%
Sweet	54.25%
Waxy	48.53%
Tropical	38.6%
Fresh	38.42%
Fatty	38.08%
Leafy	37.26%
Melon	34.43%

 

Flavor
Fruity	54.71%
Floral	31.52%
Tropical	28.43%
Oily	21.35%
Pulpy	19.43%
Mild	19.38%
Acrid	19.37%
Parsley	19.18%
Petitgrain	19.06%
Cut privet	19.05%

 

Odor impact est.
High

XLogP3-AA
2.5

pKa est.
7.06 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
201°C

Flash point

• 80.37 ˚C est.

Methyl oct-6-ynoate is primarily used as a reactive building block and intermediate in organic synthesis, enabling installation of alkynyl functionality for downstream transformations such as click chemistry and propargylation. In polymer, plastics, coatings and adhesives, it can function as a functional monomer or crosslinking/functionalization agent to introduce alkyne handles for post-polymerization modification or surface labeling. It is commonly evaluated as a precursor for the synthesis of alkynyl-containing pharmaceutical, agrochemical and fine-chemical intermediates. Additionally, the ester serves as a versatile conjugation handle in materials science and biotechnology applications, where the alkyne group supports modular, click-based conjugations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3354.59
methanol	5338.95
isopropanol	2338.94
water	8.26
ethyl acetate	1552.58
n-propanol	2099.07
acetone	2195.78
n-butanol	1713.42
acetonitrile	2879.59
DMF	2423.93
toluene	440.48
isobutanol	1360.3
1,4-dioxane	2574.88
methyl acetate	1419.49
THF	1732.43
2-butanone	1349.82
n-pentanol	1216.79
sec-butanol	1610.46
n-hexane	153.01
ethylene glycol	807.56
NMP	1268.67
cyclohexane	204.23
DMSO	2439.19
n-butyl acetate	710.84
n-octanol	388.95
chloroform	3797.79
n-propyl acetate	883.0
acetic acid	3028.19
dichloromethane	3670.36
cyclohexanone	1594.37
propylene glycol	852.75
isopropyl acetate	691.44
DMAc	1422.8
2-ethoxyethanol	1755.42
isopentanol	1197.76
n-heptane	71.54
ethyl formate	1102.54
1,2-dichloroethane	1780.74
n-hexanol	768.37
2-methoxyethanol	2839.91
isobutyl acetate	470.01
tetrachloromethane	576.57
n-pentyl acetate	476.49
transcutol	2932.92
n-heptanol	331.08
ethylbenzene	269.88
MIBK	537.77
2-propoxyethanol	1111.8
tert-butanol	2360.82
MTBE	1213.51
2-butoxyethanol	651.84
propionic acid	1762.72
o-xylene	277.69
formic acid	1398.97
diethyl ether	1351.14
m-xylene	280.63
p-xylene	360.5
chlorobenzene	696.56
dimethyl carbonate	298.16
n-octane	37.75
formamide	1744.03
cyclopentanone	1409.85
2-pentanone	1071.86
anisole	655.19
cyclopentyl methyl ether	796.39
gamma-butyrolactone	1653.05
1-methoxy-2-propanol	1561.78
pyridine	1673.5
3-pentanone	664.62
furfural	1550.79
n-dodecane	32.62
diethylene glycol	1025.0
diisopropyl ether	253.73
tert-amyl alcohol	1601.88
acetylacetone	961.85
n-hexadecane	35.72
acetophenone	580.02
methyl propionate	900.34
isopentyl acetate	538.19
trichloroethylene	3112.82
n-nonanol	306.65
cyclohexanol	1205.69
benzyl alcohol	660.98
2-ethylhexanol	379.95
isooctanol	285.43
dipropyl ether	400.98
1,2-dichlorobenzene	592.61
ethyl lactate	391.09
propylene carbonate	841.39
n-methylformamide	1883.55
2-pentanol	1006.16
n-pentane	132.3
1-propoxy-2-propanol	732.45
1-methoxy-2-propyl acetate	550.6
2-(2-methoxypropoxy) propanol	534.19
mesitylene	178.3
ε-caprolactone	1193.12
p-cymene	137.08
epichlorohydrin	1726.55
1,1,1-trichloroethane	1682.22
2-aminoethanol	1505.66
morpholine-4-carbaldehyde	1606.94
sulfolane	1596.12
2,2,4-trimethylpentane	64.66
2-methyltetrahydrofuran	1420.73
n-hexyl acetate	658.93
isooctane	45.54
2-(2-butoxyethoxy)ethanol	842.75
sec-butyl acetate	501.98
tert-butyl acetate	696.43
decalin	83.51
glycerin	1041.15
diglyme	1509.88
acrylic acid	1373.78
isopropyl myristate	206.13
n-butyric acid	2051.22
acetyl acetate	763.47
di(2-ethylhexyl) phthalate	204.85
ethyl propionate	646.41
nitromethane	3861.91
1,2-diethoxyethane	858.42
benzonitrile	885.88
trioctyl phosphate	153.88
1-bromopropane	1113.77
gamma-valerolactone	1952.16
n-decanol	212.74
triethyl phosphate	212.32
4-methyl-2-pentanol	428.2
propionitrile	1600.98
vinylene carbonate	931.62
1,1,2-trichlorotrifluoroethane	1578.09
DMS	426.56
cumene	185.54
2-octanol	265.04
2-hexanone	795.81
octyl acetate	275.88
limonene	209.39
1,2-dimethoxyethane	2072.17
ethyl orthosilicate	212.86
tributyl phosphate	201.94
diacetone alcohol	810.13
N,N-dimethylaniline	411.13
acrylonitrile	1883.01
aniline	729.99
1,3-propanediol	1808.73
bromobenzene	697.11
dibromomethane	2202.38
1,1,2,2-tetrachloroethane	2456.17
2-methyl-cyclohexyl acetate	326.37
tetrabutyl urea	261.76
diisobutyl methanol	219.19
2-phenylethanol	430.38
styrene	382.57
dioctyl adipate	311.59
dimethyl sulfate	480.28
ethyl butyrate	514.99
methyl lactate	455.17
butyl lactate	398.17
diethyl carbonate	359.96
propanediol butyl ether	704.52
triethyl orthoformate	326.67
p-tert-butyltoluene	133.93
methyl 4-tert-butylbenzoate	432.05
morpholine	2953.96
tert-butylamine	1333.58
n-dodecanol	160.03
dimethoxymethane	967.84
ethylene carbonate	800.15
cyrene	475.68
2-ethoxyethyl acetate	660.53
2-ethylhexyl acetate	388.17
1,2,4-trichlorobenzene	665.85
4-methylpyridine	1481.51
dibutyl ether	442.11
2,6-dimethyl-4-heptanol	219.19
DEF	1243.87
dimethyl isosorbide	679.89
tetrachloroethylene	1733.14
eugenol	495.78
triacetin	594.65
span 80	486.6
1,4-butanediol	816.48
1,1-dichloroethane	2156.96
2-methyl-1-pentanol	884.34
methyl formate	1181.69
2-methyl-1-butanol	1127.31
n-decane	55.61
butyronitrile	1625.83
3,7-dimethyl-1-octanol	343.04
1-chlorooctane	228.55
1-chlorotetradecane	82.78
n-nonane	57.76
undecane	40.47
tert-butylcyclohexane	87.36
cyclooctane	49.48
cyclopentanol	1112.95
tetrahydropyran	2035.32
tert-amyl methyl ether	722.26
2,5,8-trioxanonane	956.28
1-hexene	568.01
2-isopropoxyethanol	976.94
2,2,2-trifluoroethanol	732.48
methyl butyrate	995.63

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