Molecular formula
C15H26O

SMILES
CC1CCC(C2C13C2C(CC3)(C)O)C(C)C

Fragrance
Woody	68.0%
Spicy	62.86%
Herbal	60.42%
Balsamic	47.62%
Mint	47.38%
Earthy	45.07%
Sweet	41.11%
Fruity	39.16%
Green	38.52%
Camphoreous	37.86%

 

Flavor
Green	56.67%
Fruity	51.02%
Herbal	47.82%
Herb	44.62%
Minty	40.77%
Fruit	38.5%
Earthy	35.85%
Tropical	31.91%
Sweet	29.86%
Woody	29.07%

 

Odor impact est.
Low

XLogP3-AA
3.9

pKa est.
9.07 (weak base)

Molecular weight
222.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
299°C

Flash point

• 78.0 ˚C est.

• SCHEMBL87742
• (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol

The chemical name (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol is primarily viewed as a chiral intermediate and potential odor-active compound; in real-world contexts, it may be explored as a fragrance ingredient or odorant for perfumery, as a synthetic building block in pharmaceutical development, and as a chiral precursor for specialty polymers and plastics. It can also be evaluated for cosmetics/personal care applications for scent contribution, and as an intermediate in coatings or inks for industrial formulations. Use is subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	175.31
methanol	135.31
isopropanol	268.77
water	0.69
ethyl acetate	224.82
n-propanol	213.28
acetone	320.83
n-butanol	221.82
acetonitrile	184.82
DMF	293.66
toluene	252.68
isobutanol	181.57
1,4-dioxane	574.2
methyl acetate	224.35
THF	1065.19
2-butanone	291.27
n-pentanol	108.68
sec-butanol	164.28
n-hexane	18.31
ethylene glycol	34.84
NMP	174.42
cyclohexane	57.1
DMSO	185.05
n-butyl acetate	227.95
n-octanol	92.86
chloroform	538.49
n-propyl acetate	141.46
acetic acid	82.06
dichloromethane	386.15
cyclohexanone	371.53
propylene glycol	66.51
isopropyl acetate	194.44
DMAc	211.97
2-ethoxyethanol	143.31
isopentanol	185.36
n-heptane	26.92
ethyl formate	143.89
1,2-dichloroethane	232.97
n-hexanol	202.12
2-methoxyethanol	255.71
isobutyl acetate	143.29
tetrachloromethane	104.89
n-pentyl acetate	151.95
transcutol	322.56
n-heptanol	108.57
ethylbenzene	108.53
MIBK	192.55
2-propoxyethanol	308.89
tert-butanol	253.89
MTBE	265.5
2-butoxyethanol	173.64
propionic acid	106.99
o-xylene	129.06
formic acid	23.92
diethyl ether	244.91
m-xylene	158.93
p-xylene	151.34
chlorobenzene	200.51
dimethyl carbonate	96.55
n-octane	13.57
formamide	49.98
cyclopentanone	516.21
2-pentanone	247.44
anisole	188.56
cyclopentyl methyl ether	275.95
gamma-butyrolactone	411.76
1-methoxy-2-propanol	254.5
pyridine	370.61
3-pentanone	174.49
furfural	264.25
n-dodecane	12.63
diethylene glycol	185.64
diisopropyl ether	95.48
tert-amyl alcohol	147.35
acetylacetone	271.48
n-hexadecane	15.1
acetophenone	154.92
methyl propionate	177.02
isopentyl acetate	226.69
trichloroethylene	376.68
n-nonanol	90.05
cyclohexanol	176.5
benzyl alcohol	144.96
2-ethylhexanol	112.37
isooctanol	91.57
dipropyl ether	153.19
1,2-dichlorobenzene	156.49
ethyl lactate	80.14
propylene carbonate	214.22
n-methylformamide	134.71
2-pentanol	146.7
n-pentane	27.89
1-propoxy-2-propanol	233.96
1-methoxy-2-propyl acetate	246.54
2-(2-methoxypropoxy) propanol	156.57
mesitylene	103.58
ε-caprolactone	277.95
p-cymene	94.65
epichlorohydrin	424.05
1,1,1-trichloroethane	264.08
2-aminoethanol	81.88
morpholine-4-carbaldehyde	276.56
sulfolane	299.94
2,2,4-trimethylpentane	17.73
2-methyltetrahydrofuran	460.74
n-hexyl acetate	194.52
isooctane	20.78
2-(2-butoxyethoxy)ethanol	194.25
sec-butyl acetate	122.51
tert-butyl acetate	204.94
decalin	27.37
glycerin	77.5
diglyme	341.48
acrylic acid	82.24
isopropyl myristate	93.6
n-butyric acid	176.59
acetyl acetate	151.78
di(2-ethylhexyl) phthalate	85.45
ethyl propionate	131.59
nitromethane	175.78
1,2-diethoxyethane	184.66
benzonitrile	189.84
trioctyl phosphate	69.07
1-bromopropane	186.59
gamma-valerolactone	486.19
n-decanol	70.53
triethyl phosphate	78.4
4-methyl-2-pentanol	109.69
propionitrile	222.24
vinylene carbonate	201.12
1,1,2-trichlorotrifluoroethane	194.81
DMS	143.27
cumene	79.48
2-octanol	77.76
2-hexanone	153.07
octyl acetate	107.74
limonene	105.92
1,2-dimethoxyethane	311.46
ethyl orthosilicate	80.82
tributyl phosphate	71.29
diacetone alcohol	178.99
N,N-dimethylaniline	119.04
acrylonitrile	216.96
aniline	200.3
1,3-propanediol	149.07
bromobenzene	222.88
dibromomethane	276.64
1,1,2,2-tetrachloroethane	303.49
2-methyl-cyclohexyl acetate	147.64
tetrabutyl urea	88.46
diisobutyl methanol	88.6
2-phenylethanol	193.21
styrene	118.38
dioctyl adipate	104.59
dimethyl sulfate	109.18
ethyl butyrate	150.89
methyl lactate	93.13
butyl lactate	123.11
diethyl carbonate	102.93
propanediol butyl ether	139.11
triethyl orthoformate	118.25
p-tert-butyltoluene	98.37
methyl 4-tert-butylbenzoate	149.89
morpholine	511.27
tert-butylamine	170.57
n-dodecanol	55.99
dimethoxymethane	312.57
ethylene carbonate	188.41
cyrene	136.97
2-ethoxyethyl acetate	197.15
2-ethylhexyl acetate	175.25
1,2,4-trichlorobenzene	185.36
4-methylpyridine	337.15
dibutyl ether	109.07
2,6-dimethyl-4-heptanol	88.6
DEF	171.53
dimethyl isosorbide	249.91
tetrachloroethylene	200.95
eugenol	134.68
triacetin	164.0
span 80	143.67
1,4-butanediol	55.61
1,1-dichloroethane	277.1
2-methyl-1-pentanol	98.69
methyl formate	113.1
2-methyl-1-butanol	147.65
n-decane	20.7
butyronitrile	223.07
3,7-dimethyl-1-octanol	102.79
1-chlorooctane	68.05
1-chlorotetradecane	31.77
n-nonane	18.37
undecane	15.9
tert-butylcyclohexane	26.37
cyclooctane	23.02
cyclopentanol	220.64
tetrahydropyran	541.23
tert-amyl methyl ether	143.97
2,5,8-trioxanonane	225.93
1-hexene	64.63
2-isopropoxyethanol	127.92
2,2,2-trifluoroethanol	47.83
methyl butyrate	158.85

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