Molecular formula
C15H18O2

SMILES
CCCCCC#CC(=O)OCC1=CC=CC=C1

Fragrance
Green	84.35%
Floral	49.29%
Violet	45.84%
Leafy	44.06%
Balsamic	38.42%
Herbal	36.49%
Sweet	35.13%
Oily	31.72%
Waxy	31.46%
Metallic	30.68%

 

Flavor
Herbal	34.71%
Fruity	28.53%
Bitter	26.05%
Mild	24.13%
Odorless	22.67%
Oily	22.41%
Bland	20.87%
Warm	20.72%
Heather	19.8%
Lovage	19.75%

 

Odor impact est.
Medium

XLogP3-AA
4.7

pKa est.
5.73 (weak acid)

Molecular weight
230.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
326°C

Flash point

• 153.73 ˚C est.

• benzyl oct-2-ynoate

Benzyl oct-2-ynoate is primarily used as a fragrance ingredient and fragrance intermediate in the fragrance and cosmetics sectors, often functioning as a fragrance fixative or to help stabilize scent profiles. It is considered an intermediate in the synthetic construction of other aroma chemicals for the fragrance industry. In coatings and inks, it may serve as an odorant additive or a solvent component within aroma-containing formulations. In the polymers/plastics field, it can act as a plasticizer or processing additive for specialty applications, depending on formulation. Additionally, in household products and personal care items, it may be used as a fragrance ingredient or part of the scent-delivery system, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6324.3
methanol	11303.25
isopropanol	2270.12
water	0.65
ethyl acetate	11480.45
n-propanol	3917.99
acetone	12337.01
n-butanol	2942.34
acetonitrile	8743.47
DMF	18859.94
toluene	2305.59
isobutanol	2141.5
1,4-dioxane	3886.74
methyl acetate	6614.71
THF	5385.01
2-butanone	7640.01
n-pentanol	1450.59
sec-butanol	1914.61
n-hexane	88.97
ethylene glycol	1003.15
NMP	7149.51
cyclohexane	176.47
DMSO	18166.28
n-butyl acetate	2529.39
n-octanol	269.73
chloroform	9631.57
n-propyl acetate	3028.24
acetic acid	4487.45
dichloromethane	14404.6
cyclohexanone	6941.34
propylene glycol	1137.45
isopropyl acetate	3760.5
DMAc	7738.42
2-ethoxyethanol	3101.06
isopentanol	1947.95
n-heptane	35.54
ethyl formate	3290.25
1,2-dichloroethane	14471.09
n-hexanol	1037.75
2-methoxyethanol	8128.79
isobutyl acetate	1229.87
tetrachloromethane	549.95
n-pentyl acetate	1110.7
transcutol	10406.07
n-heptanol	319.78
ethylbenzene	689.24
MIBK	2458.78
2-propoxyethanol	2493.91
tert-butanol	1838.51
MTBE	2196.28
2-butoxyethanol	1045.4
propionic acid	3285.24
o-xylene	807.2
formic acid	2250.24
diethyl ether	4686.34
m-xylene	982.08
p-xylene	688.15
chlorobenzene	3410.29
dimethyl carbonate	2737.18
n-octane	15.85
formamide	7146.58
cyclopentanone	8423.03
2-pentanone	7365.98
anisole	2067.68
cyclopentyl methyl ether	3316.67
gamma-butyrolactone	8451.64
1-methoxy-2-propanol	4501.62
pyridine	7584.88
3-pentanone	4837.12
furfural	5890.61
n-dodecane	13.72
diethylene glycol	2017.07
diisopropyl ether	679.68
tert-amyl alcohol	1575.59
acetylacetone	7504.81
n-hexadecane	16.55
acetophenone	1947.35
methyl propionate	8084.67
isopentyl acetate	1772.47
trichloroethylene	20465.78
n-nonanol	238.05
cyclohexanol	1843.69
benzyl alcohol	1538.61
2-ethylhexanol	474.42
isooctanol	253.19
dipropyl ether	780.69
1,2-dichlorobenzene	2644.34
ethyl lactate	905.13
propylene carbonate	3574.18
n-methylformamide	11160.75
2-pentanol	1586.69
n-pentane	88.71
1-propoxy-2-propanol	1458.71
1-methoxy-2-propyl acetate	2483.62
2-(2-methoxypropoxy) propanol	902.61
mesitylene	430.31
ε-caprolactone	5061.95
p-cymene	214.25
epichlorohydrin	12934.71
1,1,1-trichloroethane	5343.52
2-aminoethanol	2284.0
morpholine-4-carbaldehyde	5565.59
sulfolane	8604.85
2,2,4-trimethylpentane	44.38
2-methyltetrahydrofuran	3737.95
n-hexyl acetate	1362.79
isooctane	40.05
2-(2-butoxyethoxy)ethanol	1602.97
sec-butyl acetate	1576.66
tert-butyl acetate	2806.76
decalin	81.03
glycerin	1364.14
diglyme	3870.99
acrylic acid	2925.98
isopropyl myristate	325.73
n-butyric acid	5243.73
acetyl acetate	3849.06
di(2-ethylhexyl) phthalate	287.58
ethyl propionate	2765.22
nitromethane	15190.92
1,2-diethoxyethane	2749.11
benzonitrile	2498.38
trioctyl phosphate	196.12
1-bromopropane	4640.83
gamma-valerolactone	8792.81
n-decanol	165.05
triethyl phosphate	425.1
4-methyl-2-pentanol	588.02
propionitrile	4867.35
vinylene carbonate	3299.3
1,1,2-trichlorotrifluoroethane	5584.92
DMS	1918.14
cumene	308.64
2-octanol	200.59
2-hexanone	2565.82
octyl acetate	442.9
limonene	365.64
1,2-dimethoxyethane	4270.85
ethyl orthosilicate	382.76
tributyl phosphate	328.83
diacetone alcohol	2675.9
N,N-dimethylaniline	909.06
acrylonitrile	7621.11
aniline	2714.83
1,3-propanediol	3167.48
bromobenzene	3708.19
dibromomethane	7850.94
1,1,2,2-tetrachloroethane	14058.93
2-methyl-cyclohexyl acetate	686.5
tetrabutyl urea	456.54
diisobutyl methanol	256.72
2-phenylethanol	1059.51
styrene	1238.52
dioctyl adipate	540.8
dimethyl sulfate	3764.22
ethyl butyrate	1438.92
methyl lactate	2139.69
butyl lactate	825.92
diethyl carbonate	860.96
propanediol butyl ether	983.3
triethyl orthoformate	677.96
p-tert-butyltoluene	193.31
methyl 4-tert-butylbenzoate	740.04
morpholine	6474.4
tert-butylamine	875.25
n-dodecanol	120.13
dimethoxymethane	7648.83
ethylene carbonate	2770.25
cyrene	790.5
2-ethoxyethyl acetate	2200.44
2-ethylhexyl acetate	1220.63
1,2,4-trichlorobenzene	2902.79
4-methylpyridine	7231.83
dibutyl ether	646.33
2,6-dimethyl-4-heptanol	256.72
DEF	8742.25
dimethyl isosorbide	1554.17
tetrachloroethylene	7134.16
eugenol	886.5
triacetin	1274.89
span 80	661.16
1,4-butanediol	875.31
1,1-dichloroethane	8703.95
2-methyl-1-pentanol	1144.57
methyl formate	5597.54
2-methyl-1-butanol	1995.55
n-decane	22.54
butyronitrile	3950.11
3,7-dimethyl-1-octanol	351.6
1-chlorooctane	237.39
1-chlorotetradecane	72.07
n-nonane	21.21
undecane	16.87
tert-butylcyclohexane	62.6
cyclooctane	40.85
cyclopentanol	1743.0
tetrahydropyran	4656.59
tert-amyl methyl ether	1534.65
2,5,8-trioxanonane	1976.07
1-hexene	756.72
2-isopropoxyethanol	1643.82
2,2,2-trifluoroethanol	1208.15
methyl butyrate	3705.94

Scent© AI