Molecular formula
C9H14O2

SMILES
CCC#CCCCC(=O)OC

Fragrance
Fruity	79.87%
Green	76.47%
Floral	51.88%
Sweet	51.64%
Waxy	44.13%
Tropical	42.35%
Leafy	36.67%
Apple	35.83%
Fatty	35.58%
Pineapple	34.92%

 

Flavor
Fruity	51.15%
Floral	26.85%
Tropical	26.73%
Mild	19.69%
Acrid	19.38%
Pulpy	19.27%
Parsley	18.97%
Marshmallow	18.83%
Cut privet	18.8%
Overripe fruit	18.78%

 

Odor impact est.
High

XLogP3-AA
1.9

pKa est.
7.24 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
204°C

Flash point

• 79.28 ˚C est.

• SCHEMBL17664395

Methyl oct-5-ynoate is primarily used as an organic synthesis intermediate and a reactive building block in polymer chemistry. In polymers/plastics, it can function as a functional monomer or a crosslinking component because of the alkyne group, enabling post-polymerization modifications and click-chemistry-based architectures. In coatings and inks, it is used as a reactive monomer or formulation component for UV-curable systems, contributing to resin functionality and cure performance. In electronics and specialty resins, it can serve as a precursor to advanced materials and photoresists used in microfabrication. It may also be employed as an intermediate in the synthesis of more complex pharmaceutical or agrochemical building blocks under appropriate regulatory control.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2555.36
methanol	3899.59
isopropanol	1658.49
water	6.83
ethyl acetate	2220.79
n-propanol	1707.94
acetone	4431.2
n-butanol	1542.44
acetonitrile	4329.71
DMF	5359.64
toluene	678.91
isobutanol	1216.08
1,4-dioxane	2702.21
methyl acetate	2022.4
THF	2852.79
2-butanone	2449.84
n-pentanol	1196.77
sec-butanol	1339.31
n-hexane	258.85
ethylene glycol	685.41
NMP	3863.95
cyclohexane	232.99
DMSO	7606.0
n-butyl acetate	1464.73
n-octanol	481.88
chloroform	5231.7
n-propyl acetate	1604.11
acetic acid	4285.78
dichloromethane	5944.5
cyclohexanone	2947.38
propylene glycol	682.97
isopropyl acetate	1157.95
DMAc	3143.8
2-ethoxyethanol	2130.01
isopentanol	1275.95
n-heptane	89.41
ethyl formate	1552.75
1,2-dichloroethane	3568.31
n-hexanol	746.31
2-methoxyethanol	3150.78
isobutyl acetate	790.71
tetrachloromethane	798.44
n-pentyl acetate	895.4
transcutol	5928.17
n-heptanol	344.72
ethylbenzene	475.43
MIBK	1014.84
2-propoxyethanol	1385.54
tert-butanol	2125.44
MTBE	1676.02
2-butoxyethanol	846.31
propionic acid	2267.17
o-xylene	454.64
formic acid	1987.45
diethyl ether	1802.74
m-xylene	456.5
p-xylene	600.99
chlorobenzene	1314.01
dimethyl carbonate	709.53
n-octane	43.61
formamide	3289.59
cyclopentanone	3578.8
2-pentanone	1995.31
anisole	1190.25
cyclopentyl methyl ether	1494.44
gamma-butyrolactone	4058.74
1-methoxy-2-propanol	1967.54
pyridine	2578.71
3-pentanone	1419.39
furfural	3309.92
n-dodecane	34.74
diethylene glycol	1217.53
diisopropyl ether	419.63
tert-amyl alcohol	1653.13
acetylacetone	2182.33
n-hexadecane	40.47
acetophenone	1156.31
methyl propionate	1626.53
isopentyl acetate	1055.23
trichloroethylene	6456.43
n-nonanol	389.73
cyclohexanol	1241.41
benzyl alcohol	966.4
2-ethylhexanol	456.13
isooctanol	306.2
dipropyl ether	615.33
1,2-dichlorobenzene	1271.32
ethyl lactate	599.96
propylene carbonate	1786.73
n-methylformamide	3289.39
2-pentanol	966.46
n-pentane	165.81
1-propoxy-2-propanol	966.87
1-methoxy-2-propyl acetate	1080.64
2-(2-methoxypropoxy) propanol	870.36
mesitylene	302.62
ε-caprolactone	2307.94
p-cymene	228.56
epichlorohydrin	3876.46
1,1,1-trichloroethane	2909.62
2-aminoethanol	1296.11
morpholine-4-carbaldehyde	3082.02
sulfolane	5059.84
2,2,4-trimethylpentane	102.03
2-methyltetrahydrofuran	2428.01
n-hexyl acetate	1254.0
isooctane	69.02
2-(2-butoxyethoxy)ethanol	1314.45
sec-butyl acetate	866.86
tert-butyl acetate	1296.15
decalin	134.17
glycerin	1041.87
diglyme	2625.8
acrylic acid	2223.0
isopropyl myristate	366.71
n-butyric acid	2656.53
acetyl acetate	1338.12
di(2-ethylhexyl) phthalate	346.67
ethyl propionate	1205.05
nitromethane	7965.79
1,2-diethoxyethane	1661.12
benzonitrile	1566.6
trioctyl phosphate	260.0
1-bromopropane	1792.95
gamma-valerolactone	3768.03
n-decanol	265.12
triethyl phosphate	399.99
4-methyl-2-pentanol	486.17
propionitrile	2248.25
vinylene carbonate	1753.78
1,1,2-trichlorotrifluoroethane	2915.73
DMS	990.69
cumene	309.07
2-octanol	292.79
2-hexanone	1495.72
octyl acetate	488.97
limonene	352.08
1,2-dimethoxyethane	3084.38
ethyl orthosilicate	371.91
tributyl phosphate	417.88
diacetone alcohol	1368.01
N,N-dimethylaniline	755.13
acrylonitrile	3125.01
aniline	1152.93
1,3-propanediol	1704.4
bromobenzene	1441.99
dibromomethane	3571.62
1,1,2,2-tetrachloroethane	4613.74
2-methyl-cyclohexyl acetate	621.97
tetrabutyl urea	513.47
diisobutyl methanol	276.21
2-phenylethanol	635.02
styrene	709.98
dioctyl adipate	579.99
dimethyl sulfate	1456.46
ethyl butyrate	951.9
methyl lactate	757.94
butyl lactate	736.53
diethyl carbonate	661.34
propanediol butyl ether	992.01
triethyl orthoformate	563.22
p-tert-butyltoluene	214.16
methyl 4-tert-butylbenzoate	742.75
morpholine	3568.99
tert-butylamine	1298.55
n-dodecanol	192.01
dimethoxymethane	1869.18
ethylene carbonate	1435.14
cyrene	822.7
2-ethoxyethyl acetate	1316.72
2-ethylhexyl acetate	805.29
1,2,4-trichlorobenzene	1421.97
4-methylpyridine	2541.18
dibutyl ether	733.03
2,6-dimethyl-4-heptanol	276.21
DEF	2647.43
dimethyl isosorbide	1282.04
tetrachloroethylene	3195.52
eugenol	848.1
triacetin	1133.44
span 80	741.06
1,4-butanediol	784.11
1,1-dichloroethane	3309.94
2-methyl-1-pentanol	1085.19
methyl formate	1963.46
2-methyl-1-butanol	1219.4
n-decane	63.23
butyronitrile	2163.23
3,7-dimethyl-1-octanol	462.96
1-chlorooctane	334.1
1-chlorotetradecane	114.1
n-nonane	66.08
undecane	44.97
tert-butylcyclohexane	136.19
cyclooctane	67.23
cyclopentanol	1417.27
tetrahydropyran	2486.4
tert-amyl methyl ether	1127.09
2,5,8-trioxanonane	1546.83
1-hexene	831.55
2-isopropoxyethanol	1229.86
2,2,2-trifluoroethanol	1218.12
methyl butyrate	1837.77

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