Molecular formula
C13H22O2

SMILES
C[C@H]1CC(=O)[C@](C12CCCCCC2)(C)O

Fragrance
Woody	77.33%
Herbal	58.72%
Camphoreous	51.9%
Mint	44.36%
Earthy	39.59%
Tobacco	35.57%
Cedar	35.18%
Spicy	33.08%
Balsamic	32.56%
Pine	31.93%

 

Flavor
Minty	43.55%
Sweet	36.09%
Herbal	29.06%
Fruity	26.31%
Bitter	25.26%
Coumarin	24.88%
Camphor	24.22%
Musty	22.3%
Soil	21.63%
Beet	21.59%

 

Odor impact est.
Low

XLogP3-AA
2.9

pKa est.
8.2 (weak base)

Molecular weight
210.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
314°C

Flash point

• 114.33 ˚C est.

• SCHEMBL4399219
• GWXHHXJRKJNLHI-JQWIXIFHSA-N
• (1R*,4S*)-1-Hydroxy-1,4-dimethylspiro[4.6]undecan-2-one

(1R*,4S*)-1-Hydroxy-1,4-dimethylspiro[4.6]undecan-2-one is commonly used in fragrance and personal care applications, as a musk-like odorant and fixative to extend scents in perfumes; it also serves as a chiral building block in the synthesis of complex fragrance ingredients for cosmetics and personal care products; in addition, it may be used as a fragrance additive in household cleaning formulations; at the industrial level, it can function as an intermediate in the synthesis of musk-type aroma compounds for coatings/inks and related scent formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	898.27
methanol	1457.33
isopropanol	867.31
water	9.18
ethyl acetate	1089.83
n-propanol	850.66
acetone	1941.3
n-butanol	581.29
acetonitrile	1443.64
DMF	2711.96
toluene	711.46
isobutanol	565.11
1,4-dioxane	2691.82
methyl acetate	1167.4
THF	3681.38
2-butanone	1293.51
n-pentanol	244.64
sec-butanol	422.69
n-hexane	24.29
ethylene glycol	262.09
NMP	1392.05
cyclohexane	102.3
DMSO	2000.92
n-butyl acetate	514.71
n-octanol	187.95
chloroform	2925.7
n-propyl acetate	505.56
acetic acid	681.19
dichloromethane	2540.73
cyclohexanone	1793.08
propylene glycol	247.84
isopropyl acetate	778.07
DMAc	1071.89
2-ethoxyethanol	639.13
isopentanol	452.67
n-heptane	23.07
ethyl formate	812.1
1,2-dichloroethane	1801.15
n-hexanol	308.28
2-methoxyethanol	1429.57
isobutyl acetate	340.35
tetrachloromethane	594.34
n-pentyl acetate	407.15
transcutol	1224.77
n-heptanol	204.92
ethylbenzene	279.21
MIBK	599.92
2-propoxyethanol	801.84
tert-butanol	837.8
MTBE	745.4
2-butoxyethanol	458.21
propionic acid	644.64
o-xylene	379.78
formic acid	408.88
diethyl ether	886.2
m-xylene	424.82
p-xylene	387.71
chlorobenzene	998.89
dimethyl carbonate	576.98
n-octane	15.15
formamide	904.36
cyclopentanone	2720.25
2-pentanone	974.72
anisole	686.8
cyclopentyl methyl ether	965.09
gamma-butyrolactone	2835.75
1-methoxy-2-propanol	1020.68
pyridine	1729.23
3-pentanone	715.14
furfural	1887.92
n-dodecane	14.79
diethylene glycol	642.09
diisopropyl ether	245.34
tert-amyl alcohol	411.09
acetylacetone	1365.05
n-hexadecane	18.07
acetophenone	547.5
methyl propionate	848.3
isopentyl acetate	480.56
trichloroethylene	2910.04
n-nonanol	167.11
cyclohexanol	537.73
benzyl alcohol	459.24
2-ethylhexanol	169.73
isooctanol	170.51
dipropyl ether	250.58
1,2-dichlorobenzene	832.36
ethyl lactate	244.67
propylene carbonate	1207.63
n-methylformamide	1689.5
2-pentanol	321.83
n-pentane	36.21
1-propoxy-2-propanol	477.0
1-methoxy-2-propyl acetate	670.76
2-(2-methoxypropoxy) propanol	316.53
mesitylene	282.49
ε-caprolactone	1303.96
p-cymene	153.04
epichlorohydrin	2698.02
1,1,1-trichloroethane	1808.18
2-aminoethanol	460.21
morpholine-4-carbaldehyde	1708.89
sulfolane	2587.5
2,2,4-trimethylpentane	26.36
2-methyltetrahydrofuran	1440.66
n-hexyl acetate	491.29
isooctane	29.15
2-(2-butoxyethoxy)ethanol	455.41
sec-butyl acetate	366.26
tert-butyl acetate	787.63
decalin	48.11
glycerin	425.44
diglyme	1075.2
acrylic acid	602.14
isopropyl myristate	176.1
n-butyric acid	845.81
acetyl acetate	779.38
di(2-ethylhexyl) phthalate	167.65
ethyl propionate	486.33
nitromethane	2233.87
1,2-diethoxyethane	527.16
benzonitrile	815.51
trioctyl phosphate	128.81
1-bromopropane	749.58
gamma-valerolactone	2774.15
n-decanol	115.92
triethyl phosphate	178.47
4-methyl-2-pentanol	212.77
propionitrile	1171.9
vinylene carbonate	1216.42
1,1,2-trichlorotrifluoroethane	1135.61
DMS	583.43
cumene	180.78
2-octanol	151.99
2-hexanone	433.81
octyl acetate	214.25
limonene	188.14
1,2-dimethoxyethane	1270.46
ethyl orthosilicate	165.47
tributyl phosphate	146.98
diacetone alcohol	659.69
N,N-dimethylaniline	350.09
acrylonitrile	1573.43
aniline	827.49
1,3-propanediol	719.3
bromobenzene	1060.19
dibromomethane	1479.5
1,1,2,2-tetrachloroethane	2078.75
2-methyl-cyclohexyl acetate	273.39
tetrabutyl urea	184.73
diisobutyl methanol	132.86
2-phenylethanol	441.22
styrene	381.5
dioctyl adipate	229.01
dimethyl sulfate	891.6
ethyl butyrate	372.94
methyl lactate	410.67
butyl lactate	284.19
diethyl carbonate	267.84
propanediol butyl ether	344.05
triethyl orthoformate	258.84
p-tert-butyltoluene	160.25
methyl 4-tert-butylbenzoate	459.47
morpholine	2219.51
tert-butylamine	440.34
n-dodecanol	83.19
dimethoxymethane	1634.5
ethylene carbonate	1065.33
cyrene	358.05
2-ethoxyethyl acetate	591.52
2-ethylhexyl acetate	342.6
1,2,4-trichlorobenzene	875.74
4-methylpyridine	1461.95
dibutyl ether	212.54
2,6-dimethyl-4-heptanol	132.86
DEF	817.73
dimethyl isosorbide	688.99
tetrachloroethylene	1475.69
eugenol	389.36
triacetin	456.06
span 80	284.97
1,4-butanediol	208.36
1,1-dichloroethane	1842.98
2-methyl-1-pentanol	206.17
methyl formate	1352.68
2-methyl-1-butanol	366.69
n-decane	25.57
butyronitrile	983.46
3,7-dimethyl-1-octanol	173.21
1-chlorooctane	137.63
1-chlorotetradecane	53.4
n-nonane	21.48
undecane	19.01
tert-butylcyclohexane	40.94
cyclooctane	30.71
cyclopentanol	794.77
tetrahydropyran	1695.91
tert-amyl methyl ether	359.45
2,5,8-trioxanonane	585.8
1-hexene	109.19
2-isopropoxyethanol	400.83
2,2,2-trifluoroethanol	461.92
methyl butyrate	625.47

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