Molecular formula
C11H9IO4

SMILES
COC1=CC(=C(C2=C1C=CC(=O)O2)I)OC

Fragrance
Sweet	54.36%
Phenolic	41.17%
Vanilla	41.05%
Fruity	39.38%
Burnt	33.3%
Powdery	30.56%
Caramellic	30.04%
Spicy	29.18%
Creamy	28.59%
Smoky	25.69%

 

Flavor
Bitter	75.89%
Parsley	21.46%
Odorless	21.33%
Eugenol	20.5%
Bland	20.16%
Cedarleaf	20.0%
Lovage	19.73%
Sweet-like	19.69%
Ham	19.68%
Aniseed	19.52%

 

Odor impact est.
Low

XLogP3-AA
2.5

pKa est.
5.92 (weak acid)

Molecular weight
332.09 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
431°C

Flash point

• 162.66 ˚C est.

• InChI=1/C11H9IO4/c1-14-7-5-8(15-2)10(12)11-6(7)3-4-9(13)16-11/h3-5H,1-2H

8-Iodo-5,7-dimethoxychromen-2-one is typically viewed as a synthetic intermediate in pharmaceutical and agrochemical research, enabling cross-coupling reactions to access diverse chromone derivatives and serving as a building block for drug-like scaffolds. It is also evaluated as a precursor for organic-materials and color systems, with potential to participate in the synthesis of polymers and conjugated materials for electronic or optical applications. Additionally, the compound may be used in coatings and inks as a precursor for functional finishes or specialized pigments, depending on downstream transformations. Practical use is subject to regulatory and formulation constraints in each system and should be evaluated on a case-by-case basis.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	9.73
methanol	9.12
isopropanol	6.21
water	0.04
ethyl acetate	36.91
n-propanol	8.68
acetone	48.99
n-butanol	7.91
acetonitrile	31.23
DMF	112.8
toluene	15.32
isobutanol	7.31
1,4-dioxane	64.12
methyl acetate	36.85
THF	131.78
2-butanone	33.17
n-pentanol	9.19
sec-butanol	6.62
n-hexane	1.4
ethylene glycol	5.45
NMP	152.58
cyclohexane	3.51
DMSO	122.17
n-butyl acetate	33.35
n-octanol	9.2
chloroform	58.77
n-propyl acetate	32.77
acetic acid	23.53
dichloromethane	82.57
cyclohexanone	61.05
propylene glycol	3.67
isopropyl acetate	23.73
DMAc	106.39
2-ethoxyethanol	28.79
isopentanol	8.55
n-heptane	2.98
ethyl formate	30.43
1,2-dichloroethane	54.89
n-hexanol	11.7
2-methoxyethanol	42.01
isobutyl acetate	21.41
tetrachloromethane	8.75
n-pentyl acetate	24.58
transcutol	72.18
n-heptanol	8.71
ethylbenzene	11.84
MIBK	21.7
2-propoxyethanol	39.33
tert-butanol	9.87
MTBE	13.06
2-butoxyethanol	24.79
propionic acid	14.33
o-xylene	12.74
formic acid	11.87
diethyl ether	19.25
m-xylene	11.81
p-xylene	15.97
chlorobenzene	27.31
dimethyl carbonate	35.69
n-octane	1.38
formamide	28.28
cyclopentanone	88.17
2-pentanone	28.4
anisole	32.67
cyclopentyl methyl ether	42.22
gamma-butyrolactone	103.68
1-methoxy-2-propanol	24.37
pyridine	59.5
3-pentanone	28.73
furfural	118.56
n-dodecane	1.37
diethylene glycol	34.33
diisopropyl ether	7.2
tert-amyl alcohol	9.12
acetylacetone	59.96
n-hexadecane	1.64
acetophenone	40.75
methyl propionate	36.24
isopentyl acetate	28.97
trichloroethylene	96.22
n-nonanol	9.68
cyclohexanol	13.03
benzyl alcohol	24.77
2-ethylhexanol	13.42
isooctanol	8.24
dipropyl ether	20.3
1,2-dichlorobenzene	29.18
ethyl lactate	17.63
propylene carbonate	53.55
n-methylformamide	40.21
2-pentanol	5.69
n-pentane	1.3
1-propoxy-2-propanol	27.59
1-methoxy-2-propyl acetate	40.96
2-(2-methoxypropoxy) propanol	32.44
mesitylene	7.67
ε-caprolactone	55.29
p-cymene	12.12
epichlorohydrin	117.38
1,1,1-trichloroethane	31.77
2-aminoethanol	8.07
morpholine-4-carbaldehyde	127.47
sulfolane	128.67
2,2,4-trimethylpentane	1.07
2-methyltetrahydrofuran	60.42
n-hexyl acetate	25.75
isooctane	0.78
2-(2-butoxyethoxy)ethanol	36.54
sec-butyl acetate	21.07
tert-butyl acetate	26.52
decalin	2.72
glycerin	9.63
diglyme	79.06
acrylic acid	19.02
isopropyl myristate	13.77
n-butyric acid	18.39
acetyl acetate	35.58
di(2-ethylhexyl) phthalate	17.82
ethyl propionate	31.68
nitromethane	75.9
1,2-diethoxyethane	34.75
benzonitrile	34.83
trioctyl phosphate	12.01
1-bromopropane	20.87
gamma-valerolactone	119.19
n-decanol	8.01
triethyl phosphate	21.98
4-methyl-2-pentanol	5.42
propionitrile	21.86
vinylene carbonate	54.86
1,1,2-trichlorotrifluoroethane	81.54
DMS	34.29
cumene	9.37
2-octanol	6.52
2-hexanone	30.38
octyl acetate	17.32
limonene	16.02
1,2-dimethoxyethane	76.78
ethyl orthosilicate	20.18
tributyl phosphate	15.22
diacetone alcohol	29.53
N,N-dimethylaniline	28.15
acrylonitrile	33.35
aniline	21.69
1,3-propanediol	11.73
bromobenzene	27.37
dibromomethane	44.71
1,1,2,2-tetrachloroethane	63.83
2-methyl-cyclohexyl acetate	30.28
tetrabutyl urea	25.4
diisobutyl methanol	8.72
2-phenylethanol	28.28
styrene	14.45
dioctyl adipate	23.5
dimethyl sulfate	59.96
ethyl butyrate	31.89
methyl lactate	21.01
butyl lactate	19.45
diethyl carbonate	24.5
propanediol butyl ether	16.48
triethyl orthoformate	25.62
p-tert-butyltoluene	10.72
methyl 4-tert-butylbenzoate	31.66
morpholine	62.54
tert-butylamine	5.92
n-dodecanol	6.73
dimethoxymethane	70.24
ethylene carbonate	41.08
cyrene	50.02
2-ethoxyethyl acetate	37.57
2-ethylhexyl acetate	27.0
1,2,4-trichlorobenzene	35.64
4-methylpyridine	48.94
dibutyl ether	14.83
2,6-dimethyl-4-heptanol	8.72
DEF	52.67
dimethyl isosorbide	76.96
tetrachloroethylene	46.69
eugenol	37.05
triacetin	29.8
span 80	24.52
1,4-butanediol	6.7
1,1-dichloroethane	27.5
2-methyl-1-pentanol	10.36
methyl formate	45.34
2-methyl-1-butanol	7.96
n-decane	2.06
butyronitrile	20.09
3,7-dimethyl-1-octanol	10.59
1-chlorooctane	8.78
1-chlorotetradecane	4.67
n-nonane	1.76
undecane	1.64
tert-butylcyclohexane	2.05
cyclooctane	1.45
cyclopentanol	18.64
tetrahydropyran	40.82
tert-amyl methyl ether	13.25
2,5,8-trioxanonane	60.53
1-hexene	5.62
2-isopropoxyethanol	22.07
2,2,2-trifluoroethanol	17.88
methyl butyrate	38.67

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