Molecular formula
C10H16O2

SMILES
CC(=C)C1CCC(C=C1)(C)OO

Fragrance
Floral	55.49%
Herbal	54.77%
Citrus	49.62%
Fresh	48.9%
Woody	45.08%
Spicy	42.97%
Sweet	41.6%
Mint	38.71%
Green	34.74%
Grapefruit	32.02%

 

Flavor
Minty	48.35%
Mint	40.47%
Herbal	40.22%
Fresh	35.24%
Floral	34.86%
Spice	34.06%
Green	31.9%
Woody	29.86%
Herb	28.96%
Spicy	28.22%

 

Odor impact est.
Medium

XLogP3-AA
2.4

pKa est.
9.74 (weak base)

Molecular weight
168.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
202°C

Flash point

• 95.68 ˚C est.

• (1S,4R)-p-Mentha-2,8-diene, 1-hydroperoxide
• LCOVCELWSKTKHX-UHFFFAOYSA-N
• NS00048962
• (3S,6R)-3-Hydroperoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene
• Hydroperoxide, (1S,4R)-1-methyl-4-(1-methylethenyl)-2-cyclohexen-1-yl
• Hydroperoxide, 1-methyl-4-(1-methylethenyl)-2-cyclohexen-1-yl, (1S-cis)-

Compound (3S,6R)-3-Hydroperoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene is primarily used as a synthetic intermediate in fragrance chemistry and related industrial synthesis, serving as a building block for terpenoid aroma compounds and may appear as a reactive hydroperoxide in controlled laboratory processes. It may also be evaluated as a radical initiator or crosslinking precursor in polymerization under appropriate conditions. In addition, it can be used in research and development as a scaffold for deriving specialty cosmetics ingredients or coating-related derivatives, subject to formulation constraints and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	800.03
methanol	662.39
isopropanol	611.72
water	0.5
ethyl acetate	1601.48
n-propanol	596.15
acetone	1159.82
n-butanol	614.52
acetonitrile	992.48
DMF	1182.42
toluene	625.28
isobutanol	394.09
1,4-dioxane	2142.05
methyl acetate	1094.72
THF	2231.96
2-butanone	1158.44
n-pentanol	350.94
sec-butanol	516.18
n-hexane	35.68
ethylene glycol	87.41
NMP	854.78
cyclohexane	77.62
DMSO	915.67
n-butyl acetate	727.55
n-octanol	160.72
chloroform	2197.86
n-propyl acetate	631.88
acetic acid	543.82
dichloromethane	1865.62
cyclohexanone	1134.48
propylene glycol	170.92
isopropyl acetate	822.99
DMAc	925.81
2-ethoxyethanol	624.95
isopentanol	561.05
n-heptane	20.32
ethyl formate	658.23
1,2-dichloroethane	1087.49
n-hexanol	412.56
2-methoxyethanol	1115.31
isobutyl acetate	330.62
tetrachloromethane	259.9
n-pentyl acetate	305.09
transcutol	4675.8
n-heptanol	147.77
ethylbenzene	276.9
MIBK	547.48
2-propoxyethanol	790.87
tert-butanol	773.85
MTBE	949.06
2-butoxyethanol	367.72
propionic acid	403.19
o-xylene	312.48
formic acid	230.14
diethyl ether	1016.19
m-xylene	409.69
p-xylene	316.58
chlorobenzene	751.04
dimethyl carbonate	369.25
n-octane	7.11
formamide	543.79
cyclopentanone	1228.27
2-pentanone	966.61
anisole	850.1
cyclopentyl methyl ether	864.98
gamma-butyrolactone	1432.82
1-methoxy-2-propanol	872.8
pyridine	1272.01
3-pentanone	635.42
furfural	1384.71
n-dodecane	6.4
diethylene glycol	522.84
diisopropyl ether	281.45
tert-amyl alcohol	608.15
acetylacetone	1119.87
n-hexadecane	7.85
acetophenone	619.01
methyl propionate	857.51
isopentyl acetate	611.78
trichloroethylene	2396.18
n-nonanol	141.35
cyclohexanol	471.96
benzyl alcohol	465.41
2-ethylhexanol	236.55
isooctanol	128.47
dipropyl ether	309.91
1,2-dichlorobenzene	646.09
ethyl lactate	236.93
propylene carbonate	803.83
n-methylformamide	648.7
2-pentanol	430.23
n-pentane	39.86
1-propoxy-2-propanol	568.34
1-methoxy-2-propyl acetate	928.3
2-(2-methoxypropoxy) propanol	625.85
mesitylene	221.4
ε-caprolactone	1068.07
p-cymene	136.09
epichlorohydrin	1956.83
1,1,1-trichloroethane	1139.69
2-aminoethanol	259.75
morpholine-4-carbaldehyde	1435.02
sulfolane	1019.02
2,2,4-trimethylpentane	31.51
2-methyltetrahydrofuran	1548.16
n-hexyl acetate	492.2
isooctane	29.51
2-(2-butoxyethoxy)ethanol	906.98
sec-butyl acetate	469.48
tert-butyl acetate	807.0
decalin	46.74
glycerin	231.22
diglyme	1630.2
acrylic acid	324.68
isopropyl myristate	171.58
n-butyric acid	748.24
acetyl acetate	788.42
di(2-ethylhexyl) phthalate	177.53
ethyl propionate	592.58
nitromethane	1354.53
1,2-diethoxyethane	1107.44
benzonitrile	686.42
trioctyl phosphate	104.75
1-bromopropane	599.18
gamma-valerolactone	1713.52
n-decanol	98.17
triethyl phosphate	211.59
4-methyl-2-pentanol	260.09
propionitrile	663.55
vinylene carbonate	761.33
1,1,2-trichlorotrifluoroethane	889.19
DMS	519.78
cumene	166.79
2-octanol	92.78
2-hexanone	575.62
octyl acetate	209.11
limonene	185.61
1,2-dimethoxyethane	1239.33
ethyl orthosilicate	206.37
tributyl phosphate	170.99
diacetone alcohol	748.1
N,N-dimethylaniline	385.81
acrylonitrile	790.85
aniline	703.07
1,3-propanediol	498.18
bromobenzene	782.62
dibromomethane	1096.96
1,1,2,2-tetrachloroethane	1623.3
2-methyl-cyclohexyl acetate	344.93
tetrabutyl urea	187.61
diisobutyl methanol	153.61
2-phenylethanol	461.17
styrene	387.25
dioctyl adipate	290.07
dimethyl sulfate	438.11
ethyl butyrate	502.09
methyl lactate	315.18
butyl lactate	256.39
diethyl carbonate	353.54
propanediol butyl ether	432.43
triethyl orthoformate	327.79
p-tert-butyltoluene	143.6
methyl 4-tert-butylbenzoate	390.17
morpholine	2350.14
tert-butylamine	474.45
n-dodecanol	69.4
dimethoxymethane	1000.87
ethylene carbonate	626.3
cyrene	423.17
2-ethoxyethyl acetate	638.8
2-ethylhexyl acetate	450.26
1,2,4-trichlorobenzene	792.44
4-methylpyridine	1365.88
dibutyl ether	276.48
2,6-dimethyl-4-heptanol	153.61
DEF	963.38
dimethyl isosorbide	999.93
tetrachloroethylene	903.16
eugenol	378.72
triacetin	577.9
span 80	394.6
1,4-butanediol	134.6
1,1-dichloroethane	1170.93
2-methyl-1-pentanol	362.84
methyl formate	537.68
2-methyl-1-butanol	471.41
n-decane	12.23
butyronitrile	780.79
3,7-dimethyl-1-octanol	226.2
1-chlorooctane	95.09
1-chlorotetradecane	32.01
n-nonane	11.09
undecane	8.51
tert-butylcyclohexane	43.91
cyclooctane	24.56
cyclopentanol	404.12
tetrahydropyran	1587.89
tert-amyl methyl ether	593.71
2,5,8-trioxanonane	1071.62
1-hexene	196.65
2-isopropoxyethanol	451.83
2,2,2-trifluoroethanol	184.12
methyl butyrate	697.96

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