Molecular formula
C24H32Cl2N2O2

SMILES
CCCCN(CCCC)CCNC1=C2C(=C(C=C1)Cl)OC3=C(C2=O)C=CC(=C3)C.Cl

Fragrance
Fishy	40.76%
Cheesy	38.98%
Animal	34.69%
Odorless	34.26%
Meaty	32.88%
Savory	32.46%
Ripe	28.35%
Cooling	26.31%
Roasted	25.41%
Burnt	24.75%

 

Flavor
Bitter	58.76%
Bland	28.06%
Odorless	27.32%
Mild	22.74%
Cedarleaf	20.6%
Nitrile	19.37%
Carrot	19.19%
Lovage	19.13%
Green pepper	19.13%
Syrup	18.98%

 

Odor impact est.
Odorless

pKa est.
7.97 (neutral)

Molecular weight
451.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
700°C

Flash point

• 248.64 ˚C est.

• NSC51057
• 9H-Xanthen-9-one, monohydrochloride
• NSC-51057
• 4-chloro-1-[2-(dibutylamino)ethylamino]-6-methyl-xanthen-9-one
• 4-Chloro-1-{[2-(dibutylamino)ethyl]amino}-6-methyl-9H-xanthen-9-one hydrochloride

9H-Xanthen-9-one, monohydrochloride is typically used as an intermediate in the synthesis of xanthene-based dyes for inks, coatings and plastics. It can serve as a fluorescent dye precursor or labeling reagent for analytical assays and optical sensors. It functions as a building block for optoelectronic and photonic materials. It is used as a colorant additive in polymer matrices to impart color and fluorescence in coatings and molded plastics. As a research chemical, it is employed in the development of fluorescence-based probes and imaging reagents.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	22.28
methanol	20.55
isopropanol	15.42
water	0.45
ethyl acetate	39.31
n-propanol	30.6
acetone	47.88
n-butanol	28.89
acetonitrile	11.33
DMF	70.36
toluene	23.64
isobutanol	27.77
1,4-dioxane	38.39
methyl acetate	47.07
THF	65.72
2-butanone	61.15
n-pentanol	32.57
sec-butanol	25.92
n-hexane	1.0
ethylene glycol	9.56
NMP	129.83
cyclohexane	2.24
DMSO	54.62
n-butyl acetate	33.36
n-octanol	8.94
chloroform	227.39
n-propyl acetate	39.28
acetic acid	92.88
dichloromethane	206.13
cyclohexanone	117.63
propylene glycol	13.81
isopropyl acetate	27.51
DMAc	143.63
2-ethoxyethanol	55.69
isopentanol	29.45
n-heptane	0.74
ethyl formate	38.5
1,2-dichloroethane	102.39
n-hexanol	19.3
2-methoxyethanol	54.69
isobutyl acetate	30.45
tetrachloromethane	31.73
n-pentyl acetate	44.07
transcutol	98.99
n-heptanol	17.01
ethylbenzene	10.22
MIBK	28.51
2-propoxyethanol	51.11
tert-butanol	14.87
MTBE	11.15
2-butoxyethanol	49.21
propionic acid	58.55
o-xylene	15.75
formic acid	33.49
diethyl ether	12.25
m-xylene	15.7
p-xylene	16.8
chlorobenzene	49.32
dimethyl carbonate	30.74
n-octane	0.59
formamide	41.04
cyclopentanone	113.92
2-pentanone	42.51
anisole	17.0
cyclopentyl methyl ether	32.23
gamma-butyrolactone	128.28
1-methoxy-2-propanol	39.2
pyridine	74.23
3-pentanone	41.17
furfural	121.21
n-dodecane	0.54
diethylene glycol	41.27
diisopropyl ether	4.37
tert-amyl alcohol	22.0
acetylacetone	59.16
n-hexadecane	0.62
acetophenone	38.61
methyl propionate	43.17
isopentyl acetate	33.79
trichloroethylene	261.19
n-nonanol	10.3
cyclohexanol	40.08
benzyl alcohol	44.64
2-ethylhexanol	14.05
isooctanol	16.34
dipropyl ether	7.96
1,2-dichlorobenzene	48.08
ethyl lactate	30.08
propylene carbonate	85.03
n-methylformamide	41.85
2-pentanol	18.38
n-pentane	1.04
1-propoxy-2-propanol	32.84
1-methoxy-2-propyl acetate	41.43
2-(2-methoxypropoxy) propanol	36.95
mesitylene	8.48
ε-caprolactone	105.81
p-cymene	8.48
epichlorohydrin	147.87
1,1,1-trichloroethane	85.8
2-aminoethanol	20.77
morpholine-4-carbaldehyde	100.25
sulfolane	146.79
2,2,4-trimethylpentane	1.32
2-methyltetrahydrofuran	45.66
n-hexyl acetate	30.31
isooctane	0.67
2-(2-butoxyethoxy)ethanol	48.6
sec-butyl acetate	26.68
tert-butyl acetate	25.05
decalin	1.76
glycerin	25.65
diglyme	74.41
acrylic acid	63.49
isopropyl myristate	10.95
n-butyric acid	70.11
acetyl acetate	39.43
di(2-ethylhexyl) phthalate	24.89
ethyl propionate	26.91
nitromethane	90.14
1,2-diethoxyethane	27.14
benzonitrile	39.19
trioctyl phosphate	15.9
1-bromopropane	36.04
gamma-valerolactone	155.73
n-decanol	7.57
triethyl phosphate	20.02
4-methyl-2-pentanol	12.48
propionitrile	18.52
vinylene carbonate	85.94
1,1,2-trichlorotrifluoroethane	151.65
DMS	40.97
cumene	8.56
2-octanol	10.71
2-hexanone	39.21
octyl acetate	16.72
limonene	10.32
1,2-dimethoxyethane	44.27
ethyl orthosilicate	18.07
tributyl phosphate	18.21
diacetone alcohol	40.65
N,N-dimethylaniline	14.83
acrylonitrile	27.52
aniline	44.42
1,3-propanediol	32.65
bromobenzene	44.31
dibromomethane	109.03
1,1,2,2-tetrachloroethane	194.16
2-methyl-cyclohexyl acetate	30.1
tetrabutyl urea	22.69
diisobutyl methanol	7.36
2-phenylethanol	35.11
styrene	11.96
dioctyl adipate	22.85
dimethyl sulfate	57.32
ethyl butyrate	24.56
methyl lactate	36.69
butyl lactate	44.48
diethyl carbonate	19.64
propanediol butyl ether	36.26
triethyl orthoformate	20.64
p-tert-butyltoluene	7.11
methyl 4-tert-butylbenzoate	39.13
morpholine	53.95
tert-butylamine	7.34
n-dodecanol	5.62
dimethoxymethane	41.27
ethylene carbonate	72.8
cyrene	57.76
2-ethoxyethyl acetate	68.31
2-ethylhexyl acetate	29.0
1,2,4-trichlorobenzene	72.3
4-methylpyridine	60.76
dibutyl ether	7.36
2,6-dimethyl-4-heptanol	7.36
DEF	52.08
dimethyl isosorbide	62.24
tetrachloroethylene	141.17
eugenol	48.89
triacetin	45.27
span 80	35.58
1,4-butanediol	21.9
1,1-dichloroethane	78.75
2-methyl-1-pentanol	35.94
methyl formate	39.47
2-methyl-1-butanol	35.02
n-decane	0.78
butyronitrile	19.83
3,7-dimethyl-1-octanol	10.15
1-chlorooctane	5.24
1-chlorotetradecane	2.5
n-nonane	0.63
undecane	0.62
tert-butylcyclohexane	1.42
cyclooctane	0.74
cyclopentanol	42.36
tetrahydropyran	35.07
tert-amyl methyl ether	12.52
2,5,8-trioxanonane	51.92
1-hexene	5.97
2-isopropoxyethanol	42.28
2,2,2-trifluoroethanol	56.15
methyl butyrate	40.57

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