Molecular formula
C17H28O2

SMILES
CCC(=O)CCC1C(=CCCC1(C)C)C.C#CCO

Fragrance
Woody	83.31%
Floral	65.14%
Orris	54.38%
Violet	52.0%
Powdery	50.66%
Amber	48.22%
Dry	47.02%
Musk	46.63%
Sweet	46.39%
Fruity	43.28%

 

Flavor
Woody	58.22%
Floral	47.8%
Fruity	41.88%
Herbal	38.84%
Sweet	33.56%
Green	32.0%
Spicy	28.44%
Tropical	27.99%
Orris	27.95%
Fresh	27.54%

 

Odor impact est.
Medium

pKa est.
9.72 (weak base)

Molecular weight
264.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
273°C

Flash point

• 112.83 ˚C est.

• EINECS 271-889-2
• prop-2-yn-1-ol;1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
• SCHEMBL1774018
• BKHCAESJENSNLE-UHFFFAOYSA-N
• 271-889-2

3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, reaction products with 2-propyn-1-ol may serve as an intermediate in fragrance chemistry; it can act as a fixative or odorant precursor for perfume and cosmetic fragrance ingredients; it may be used as a fragrance component in personal care and household products; in materials applications, derivatives of this compound can serve as precursors for polymers or plastics containing propargyl groups to impart specific properties; and it can be used as a fragrance or additive in cleaning formulations, subject to formulation constraints and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2648.97
methanol	2141.86
isopropanol	2135.6
water	1.0
ethyl acetate	4141.85
n-propanol	2233.68
acetone	3360.47
n-butanol	2485.03
acetonitrile	2294.0
DMF	3046.72
toluene	2737.2
isobutanol	1687.53
1,4-dioxane	5700.14
methyl acetate	2168.35
THF	6531.29
2-butanone	2763.54
n-pentanol	1040.45
sec-butanol	1659.79
n-hexane	362.22
ethylene glycol	156.91
NMP	2263.8
cyclohexane	1045.16
DMSO	1249.67
n-butyl acetate	2709.34
n-octanol	457.76
chloroform	5713.8
n-propyl acetate	1407.3
acetic acid	1423.82
dichloromethane	4898.71
cyclohexanone	4097.19
propylene glycol	289.83
isopropyl acetate	2754.09
DMAc	2191.85
2-ethoxyethanol	1154.01
isopentanol	2057.97
n-heptane	206.36
ethyl formate	1394.18
1,2-dichloroethane	3372.02
n-hexanol	1882.78
2-methoxyethanol	2428.53
isobutyl acetate	1017.49
tetrachloromethane	1041.1
n-pentyl acetate	1100.53
transcutol	7192.02
n-heptanol	563.01
ethylbenzene	840.42
MIBK	1709.78
2-propoxyethanol	2666.9
tert-butanol	2330.87
MTBE	4067.09
2-butoxyethanol	1067.76
propionic acid	1098.71
o-xylene	1116.2
formic acid	384.06
diethyl ether	5276.36
m-xylene	1565.59
p-xylene	972.08
chlorobenzene	2395.52
dimethyl carbonate	787.44
n-octane	55.62
formamide	657.92
cyclopentanone	3358.47
2-pentanone	3037.89
anisole	1562.91
cyclopentyl methyl ether	3583.44
gamma-butyrolactone	3233.04
1-methoxy-2-propanol	1931.4
pyridine	3502.6
3-pentanone	2138.52
furfural	2396.65
n-dodecane	34.77
diethylene glycol	1088.41
diisopropyl ether	1430.45
tert-amyl alcohol	1696.57
acetylacetone	2738.7
n-hexadecane	43.44
acetophenone	1043.92
methyl propionate	2352.88
isopentyl acetate	2488.86
trichloroethylene	5666.34
n-nonanol	425.47
cyclohexanol	2282.07
benzyl alcohol	878.47
2-ethylhexanol	952.5
isooctanol	442.72
dipropyl ether	1724.96
1,2-dichlorobenzene	1793.38
ethyl lactate	400.88
propylene carbonate	1775.11
n-methylformamide	1346.13
2-pentanol	1583.73
n-pentane	442.32
1-propoxy-2-propanol	1839.85
1-methoxy-2-propyl acetate	2672.83
2-(2-methoxypropoxy) propanol	1042.86
mesitylene	893.83
ε-caprolactone	3296.99
p-cymene	469.03
epichlorohydrin	4372.41
1,1,1-trichloroethane	3454.05
2-aminoethanol	534.72
morpholine-4-carbaldehyde	3109.8
sulfolane	2152.23
2,2,4-trimethylpentane	193.12
2-methyltetrahydrofuran	5522.29
n-hexyl acetate	1584.68
isooctane	167.71
2-(2-butoxyethoxy)ethanol	1610.52
sec-butyl acetate	1245.57
tert-butyl acetate	2685.0
decalin	290.7
glycerin	364.68
diglyme	3161.92
acrylic acid	760.93
isopropyl myristate	482.64
n-butyric acid	2399.32
acetyl acetate	2052.14
di(2-ethylhexyl) phthalate	413.71
ethyl propionate	1355.93
nitromethane	2263.35
1,2-diethoxyethane	3102.31
benzonitrile	1480.43
trioctyl phosphate	280.53
1-bromopropane	2586.03
gamma-valerolactone	4602.35
n-decanol	289.2
triethyl phosphate	497.42
4-methyl-2-pentanol	853.81
propionitrile	2153.45
vinylene carbonate	1654.53
1,1,2-trichlorotrifluoroethane	1749.63
DMS	1182.46
cumene	495.01
2-octanol	349.2
2-hexanone	1293.55
octyl acetate	592.9
limonene	797.19
1,2-dimethoxyethane	2654.57
ethyl orthosilicate	570.44
tributyl phosphate	437.25
diacetone alcohol	1597.73
N,N-dimethylaniline	886.62
acrylonitrile	1882.02
aniline	2206.28
1,3-propanediol	1103.92
bromobenzene	2738.65
dibromomethane	3281.95
1,1,2,2-tetrachloroethane	4082.33
2-methyl-cyclohexyl acetate	1039.89
tetrabutyl urea	463.92
diisobutyl methanol	502.12
2-phenylethanol	1216.02
styrene	1123.81
dioctyl adipate	653.43
dimethyl sulfate	845.57
ethyl butyrate	1522.31
methyl lactate	553.01
butyl lactate	663.84
diethyl carbonate	868.37
propanediol butyl ether	726.52
triethyl orthoformate	1053.09
p-tert-butyltoluene	503.29
methyl 4-tert-butylbenzoate	879.6
morpholine	6499.46
tert-butylamine	1910.37
n-dodecanol	200.34
dimethoxymethane	2946.14
ethylene carbonate	1650.9
cyrene	633.12
2-ethoxyethyl acetate	1780.79
2-ethylhexyl acetate	1909.58
1,2,4-trichlorobenzene	1973.2
4-methylpyridine	4287.06
dibutyl ether	1049.71
2,6-dimethyl-4-heptanol	502.12
DEF	2992.77
dimethyl isosorbide	1798.44
tetrachloroethylene	2708.02
eugenol	708.42
triacetin	1088.01
span 80	804.58
1,4-butanediol	241.32
1,1-dichloroethane	3577.59
2-methyl-1-pentanol	966.15
methyl formate	875.36
2-methyl-1-butanol	1845.31
n-decane	73.12
butyronitrile	2598.77
3,7-dimethyl-1-octanol	589.75
1-chlorooctane	409.65
1-chlorotetradecane	132.35
n-nonane	70.74
undecane	48.41
tert-butylcyclohexane	243.26
cyclooctane	303.84
cyclopentanol	1542.25
tetrahydropyran	7446.06
tert-amyl methyl ether	2180.06
2,5,8-trioxanonane	1749.13
1-hexene	1117.02
2-isopropoxyethanol	864.43
2,2,2-trifluoroethanol	421.81
methyl butyrate	1600.75

Scent© AI