Molecular formula
C15H26O

SMILES
CC1=CC[C@](CC1)([C@H](C)CCCC(=C)C)O

Fragrance
Floral	77.97%
Sweet	52.89%
Fresh	51.99%
Citrus	51.94%
Fruity	40.55%
Herbal	39.44%
Rose	38.44%
Lemon	36.91%
Lily	36.87%
Waxy	35.92%

 

Flavor
Floral	61.42%
Herbal	61.13%
Woody	60.51%
Fresh	45.35%
Herb	39.81%
Citrus	38.97%
Spicy	38.34%
Wood	36.44%
Sweet	35.97%
Spice	35.16%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
9.15 (weak base)

Molecular weight
222.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
286°C

Flash point

• 121.98 ˚C est.

• SCHEMBL6576716

Compound (1R)-4-methyl-1-[(2R)-6-methylhept-6-en-2-yl]cyclohex-3-en-1-ol is a lipophilic, chiral molecule commonly used as a fragrance ingredient and as a versatile intermediate in organic synthesis. Real-world applications span several industries: (1) fragrance component for perfumes and cosmetics; (2) odor additive for personal care and household products; (3) chiral building block or intermediate in the synthesis of industrial chemicals and pharmaceuticals; (4) precursor for the development of specialty polymers or plastics; and (5) potential fragrance additive in coatings or inks, subject to local regulatory limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3183.24
methanol	1788.72
isopropanol	3139.11
water	0.22
ethyl acetate	3274.5
n-propanol	2494.82
acetone	1601.82
n-butanol	2712.71
acetonitrile	1118.38
DMF	932.57
toluene	1389.34
isobutanol	1525.11
1,4-dioxane	4668.56
methyl acetate	1654.82
THF	4966.76
2-butanone	2046.15
n-pentanol	1410.63
sec-butanol	2202.33
n-hexane	479.04
ethylene glycol	83.87
NMP	387.71
cyclohexane	581.49
DMSO	709.43
n-butyl acetate	2328.89
n-octanol	703.95
chloroform	2665.75
n-propyl acetate	1382.67
acetic acid	617.86
dichloromethane	1829.1
cyclohexanone	1516.94
propylene glycol	287.74
isopropyl acetate	2258.27
DMAc	921.91
2-ethoxyethanol	1543.95
isopentanol	2308.19
n-heptane	287.39
ethyl formate	865.58
1,2-dichloroethane	1312.37
n-hexanol	2447.7
2-methoxyethanol	2375.54
isobutyl acetate	942.29
tetrachloromethane	460.64
n-pentyl acetate	994.76
transcutol	7130.51
n-heptanol	761.11
ethylbenzene	608.98
MIBK	1326.56
2-propoxyethanol	2635.56
tert-butanol	3426.6
MTBE	5267.37
2-butoxyethanol	1251.16
propionic acid	624.01
o-xylene	572.6
formic acid	121.3
diethyl ether	4956.66
m-xylene	804.39
p-xylene	590.17
chlorobenzene	803.32
dimethyl carbonate	315.68
n-octane	94.51
formamide	239.7
cyclopentanone	1152.08
2-pentanone	1940.1
anisole	1178.89
cyclopentyl methyl ether	1833.94
gamma-butyrolactone	973.73
1-methoxy-2-propanol	2223.24
pyridine	1874.33
3-pentanone	1179.18
furfural	879.56
n-dodecane	55.57
diethylene glycol	853.7
diisopropyl ether	1413.15
tert-amyl alcohol	2223.36
acetylacetone	1340.18
n-hexadecane	65.09
acetophenone	648.42
methyl propionate	1279.05
isopentyl acetate	2078.01
trichloroethylene	1905.0
n-nonanol	630.75
cyclohexanol	1244.44
benzyl alcohol	629.06
2-ethylhexanol	1208.84
isooctanol	620.75
dipropyl ether	2193.74
1,2-dichlorobenzene	597.18
ethyl lactate	346.99
propylene carbonate	678.42
n-methylformamide	514.56
2-pentanol	2038.38
n-pentane	467.6
1-propoxy-2-propanol	2126.3
1-methoxy-2-propyl acetate	1868.12
2-(2-methoxypropoxy) propanol	1125.12
mesitylene	483.9
ε-caprolactone	1424.73
p-cymene	366.45
epichlorohydrin	1977.45
1,1,1-trichloroethane	1394.79
2-aminoethanol	443.91
morpholine-4-carbaldehyde	1228.35
sulfolane	584.16
2,2,4-trimethylpentane	185.86
2-methyltetrahydrofuran	3354.72
n-hexyl acetate	1471.43
isooctane	205.14
2-(2-butoxyethoxy)ethanol	1929.21
sec-butyl acetate	1183.72
tert-butyl acetate	2104.82
decalin	203.26
glycerin	296.06
diglyme	3085.86
acrylic acid	271.57
isopropyl myristate	508.75
n-butyric acid	1769.33
acetyl acetate	1013.95
di(2-ethylhexyl) phthalate	346.69
ethyl propionate	1100.8
nitromethane	770.51
1,2-diethoxyethane	3619.34
benzonitrile	755.88
trioctyl phosphate	249.12
1-bromopropane	1604.02
gamma-valerolactone	1811.02
n-decanol	442.92
triethyl phosphate	359.0
4-methyl-2-pentanol	1192.18
propionitrile	1382.36
vinylene carbonate	581.81
1,1,2-trichlorotrifluoroethane	722.12
DMS	639.96
cumene	402.63
2-octanol	510.16
2-hexanone	1327.84
octyl acetate	581.69
limonene	606.43
1,2-dimethoxyethane	3007.17
ethyl orthosilicate	436.08
tributyl phosphate	334.02
diacetone alcohol	1431.6
N,N-dimethylaniline	611.4
acrylonitrile	843.29
aniline	1090.2
1,3-propanediol	1164.55
bromobenzene	861.31
dibromomethane	1441.94
1,1,2,2-tetrachloroethane	1627.29
2-methyl-cyclohexyl acetate	764.16
tetrabutyl urea	368.1
diisobutyl methanol	669.25
2-phenylethanol	967.66
styrene	728.85
dioctyl adipate	562.1
dimethyl sulfate	239.17
ethyl butyrate	1407.25
methyl lactate	365.41
butyl lactate	581.09
diethyl carbonate	712.58
propanediol butyl ether	922.27
triethyl orthoformate	932.51
p-tert-butyltoluene	415.18
methyl 4-tert-butylbenzoate	672.18
morpholine	5161.07
tert-butylamine	2552.99
n-dodecanol	318.98
dimethoxymethane	1735.14
ethylene carbonate	637.37
cyrene	428.59
2-ethoxyethyl acetate	1373.57
2-ethylhexyl acetate	1459.33
1,2,4-trichlorobenzene	621.83
4-methylpyridine	1965.56
dibutyl ether	1563.01
2,6-dimethyl-4-heptanol	669.25
DEF	1412.03
dimethyl isosorbide	1315.01
tetrachloroethylene	994.68
eugenol	595.07
triacetin	842.13
span 80	900.37
1,4-butanediol	277.71
1,1-dichloroethane	1744.35
2-methyl-1-pentanol	1194.63
methyl formate	292.4
2-methyl-1-butanol	1599.29
n-decane	121.76
butyronitrile	1961.56
3,7-dimethyl-1-octanol	904.18
1-chlorooctane	430.98
1-chlorotetradecane	148.7
n-nonane	122.81
undecane	77.49
tert-butylcyclohexane	226.2
cyclooctane	194.41
cyclopentanol	856.77
tetrahydropyran	4979.59
tert-amyl methyl ether	2253.98
2,5,8-trioxanonane	1747.68
1-hexene	1376.39
2-isopropoxyethanol	1173.27
2,2,2-trifluoroethanol	117.28
methyl butyrate	1320.07

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