Molecular formula
C8H14O3

SMILES
CCC#CC(C)C.C(=O)(O)O

Fragrance
Green	58.16%
Ethereal	44.77%
Fresh	36.46%
Gassy	31.12%
Herbal	28.8%
Pungent	28.56%
Sweet	27.92%
Mint	27.02%
Vegetable	26.41%
Fruity	25.75%

 

Flavor
Bloody	20.04%
Glue	19.88%
Yeasty	19.02%
Skunky	18.93%
Oriental	18.81%
Leathery	18.68%
Nitrile	18.66%
Delicate	18.45%
Thymol	18.33%
Creosote	18.32%

 

Odor impact est.
Medium

pKa est.
8.14 (weak base)

Molecular weight
158.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
95°C

Flash point

• -5.25 ˚C est.

Applications for this chemical primarily reflect two functional aspects: the carbonic acid portion provides dissolved CO2 for beverage carbonation and pH adjustment in aqueous formulations; it can serve as a CO2 source and buffering agent in water treatment and industrial processing. The 2-methylhex-3-yne moiety acts as a useful building block in organic synthesis, commonly used in alkyne-azide and other coupling reactions to prepare complex molecules, including pharmaceutical intermediates and specialty polymers; it can also function as a reactive monomer or crosslinking component in coatings and inks and may be evaluated as a precursor in advanced materials development; fragrance and flavor research may explore such alkynes as synthetic precursors for aroma-related compounds. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	711.22
methanol	695.63
isopropanol	655.18
water	0.35
ethyl acetate	986.65
n-propanol	748.33
acetone	1144.85
n-butanol	942.76
acetonitrile	691.07
DMF	986.12
toluene	801.71
isobutanol	662.6
1,4-dioxane	1618.32
methyl acetate	799.27
THF	2583.26
2-butanone	1037.85
n-pentanol	640.54
sec-butanol	799.87
n-hexane	1599.91
ethylene glycol	140.09
NMP	1406.12
cyclohexane	1392.88
DMSO	901.09
n-butyl acetate	2087.7
n-octanol	888.48
chloroform	2170.91
n-propyl acetate	753.1
acetic acid	509.53
dichloromethane	1737.27
cyclohexanone	2034.08
propylene glycol	218.7
isopropyl acetate	707.26
DMAc	734.85
2-ethoxyethanol	468.15
isopentanol	880.48
n-heptane	1692.48
ethyl formate	533.48
1,2-dichloroethane	1192.79
n-hexanol	1730.05
2-methoxyethanol	788.34
isobutyl acetate	641.74
tetrachloromethane	800.81
n-pentyl acetate	929.1
transcutol	1607.87
n-heptanol	758.69
ethylbenzene	543.06
MIBK	771.35
2-propoxyethanol	1339.71
tert-butanol	999.52
MTBE	1321.61
2-butoxyethanol	725.99
propionic acid	555.99
o-xylene	492.97
formic acid	96.52
diethyl ether	1491.61
m-xylene	621.51
p-xylene	651.23
chlorobenzene	931.52
dimethyl carbonate	306.01
n-octane	546.5
formamide	117.15
cyclopentanone	1937.12
2-pentanone	1075.83
anisole	686.35
cyclopentyl methyl ether	1661.1
gamma-butyrolactone	1576.41
1-methoxy-2-propanol	746.78
pyridine	1086.58
3-pentanone	872.95
furfural	1153.19
n-dodecane	303.18
diethylene glycol	583.09
diisopropyl ether	679.78
tert-amyl alcohol	935.53
acetylacetone	949.6
n-hexadecane	343.66
acetophenone	555.44
methyl propionate	714.61
isopentyl acetate	1569.1
trichloroethylene	1792.14
n-nonanol	719.31
cyclohexanol	1170.44
benzyl alcohol	407.1
2-ethylhexanol	1450.07
isooctanol	602.99
dipropyl ether	2061.39
1,2-dichlorobenzene	873.43
ethyl lactate	316.72
propylene carbonate	1062.37
n-methylformamide	397.65
2-pentanol	801.78
n-pentane	941.34
1-propoxy-2-propanol	1366.72
1-methoxy-2-propyl acetate	1020.59
2-(2-methoxypropoxy) propanol	636.21
mesitylene	507.32
ε-caprolactone	1489.4
p-cymene	622.73
epichlorohydrin	1463.37
1,1,1-trichloroethane	1628.79
2-aminoethanol	262.93
morpholine-4-carbaldehyde	1178.38
sulfolane	1922.91
2,2,4-trimethylpentane	347.74
2-methyltetrahydrofuran	2266.54
n-hexyl acetate	1381.22
isooctane	357.03
2-(2-butoxyethoxy)ethanol	848.1
sec-butyl acetate	560.96
tert-butyl acetate	915.7
decalin	577.94
glycerin	272.98
diglyme	1422.25
acrylic acid	438.79
isopropyl myristate	667.24
n-butyric acid	1009.58
acetyl acetate	559.14
di(2-ethylhexyl) phthalate	419.41
ethyl propionate	659.48
nitromethane	695.09
1,2-diethoxyethane	1189.91
benzonitrile	741.56
trioctyl phosphate	417.4
1-bromopropane	1440.68
gamma-valerolactone	1613.09
n-decanol	544.41
triethyl phosphate	452.97
4-methyl-2-pentanol	532.61
propionitrile	796.19
vinylene carbonate	830.77
1,1,2-trichlorotrifluoroethane	877.45
DMS	647.33
cumene	428.7
2-octanol	630.94
2-hexanone	1006.96
octyl acetate	742.11
limonene	1130.9
1,2-dimethoxyethane	1250.78
ethyl orthosilicate	497.57
tributyl phosphate	501.3
diacetone alcohol	796.75
N,N-dimethylaniline	551.12
acrylonitrile	712.27
aniline	569.99
1,3-propanediol	439.41
bromobenzene	1115.91
dibromomethane	1573.85
1,1,2,2-tetrachloroethane	1695.25
2-methyl-cyclohexyl acetate	910.78
tetrabutyl urea	641.01
diisobutyl methanol	819.47
2-phenylethanol	698.92
styrene	649.53
dioctyl adipate	713.78
dimethyl sulfate	435.32
ethyl butyrate	1221.35
methyl lactate	338.91
butyl lactate	587.65
diethyl carbonate	659.3
propanediol butyl ether	634.36
triethyl orthoformate	824.25
p-tert-butyltoluene	631.67
methyl 4-tert-butylbenzoate	687.61
morpholine	1497.35
tert-butylamine	855.97
n-dodecanol	457.42
dimethoxymethane	808.8
ethylene carbonate	758.45
cyrene	448.9
2-ethoxyethyl acetate	782.16
2-ethylhexyl acetate	1474.93
1,2,4-trichlorobenzene	886.05
4-methylpyridine	1251.78
dibutyl ether	1554.69
2,6-dimethyl-4-heptanol	819.47
DEF	1039.78
dimethyl isosorbide	1074.95
tetrachloroethylene	1260.78
eugenol	551.36
triacetin	775.3
span 80	779.24
1,4-butanediol	198.63
1,1-dichloroethane	1310.79
2-methyl-1-pentanol	653.2
methyl formate	349.6
2-methyl-1-butanol	807.19
n-decane	542.21
butyronitrile	1105.63
3,7-dimethyl-1-octanol	847.0
1-chlorooctane	1046.88
1-chlorotetradecane	434.07
n-nonane	689.24
undecane	387.07
tert-butylcyclohexane	578.72
cyclooctane	712.61
cyclopentanol	1050.24
tetrahydropyran	2254.88
tert-amyl methyl ether	1067.32
2,5,8-trioxanonane	959.1
1-hexene	1849.27
2-isopropoxyethanol	435.46
2,2,2-trifluoroethanol	151.36
methyl butyrate	911.17

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