Molecular formula
C46H50O20

SMILES
C/C=C/C1=CC=C(C=C1)OC.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

Fragrance
Sweet	85.72%
Herbal	62.15%
Spicy	62.13%
Anisic	57.09%
Floral	47.06%
Green	44.32%
Nutty	42.61%
Phenolic	42.56%
Warm	34.14%
Cinnamon	32.65%

 

Flavor
Sweet	76.36%
Balsam	52.58%
Anise	50.77%
Spicy	40.49%
Licorice	37.75%
Green	35.13%
Clove	31.76%
Spice	31.76%
Cinnamon	31.47%
Bitter	29.38%

 

Odor impact est.
High

pKa est.
7.45 (neutral)

Molecular weight
922.9 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
233°C

Flash point

• 83.89 ˚C est.

chromen-2-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;1-methoxy-4-[(E)-prop-1-enyl]benzene;(2R,3S,4S,5S)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol may serve as an intermediate scaffold in pharmaceutical synthesis, may be evaluated as an antioxidant or functional additive in cosmetics and polymer formulations, and can function as a fragrance or odorant precursor in perfumery and flavor chemistry; the glycoside moiety can influence solubility and biotransformation, making it relevant for research and development in drug discovery and agrochemical lead exploration, as well as for specialty coatings or dye/intermediate applications. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1548.23
methanol	1192.83
isopropanol	1127.59
water	0.58
ethyl acetate	3453.26
n-propanol	1530.09
acetone	3320.15
n-butanol	1299.16
acetonitrile	3048.03
DMF	2251.1
toluene	1503.44
isobutanol	974.36
1,4-dioxane	4382.37
methyl acetate	3095.81
THF	3784.25
2-butanone	2898.05
n-pentanol	893.66
sec-butanol	1240.81
n-hexane	428.71
ethylene glycol	372.5
NMP	1873.26
cyclohexane	597.88
DMSO	4169.54
n-butyl acetate	1622.9
n-octanol	294.47
chloroform	6144.9
n-propyl acetate	1366.54
acetic acid	1414.89
dichloromethane	6893.22
cyclohexanone	2532.44
propylene glycol	544.57
isopropyl acetate	1171.58
DMAc	1535.77
2-ethoxyethanol	1493.13
isopentanol	965.22
n-heptane	166.23
ethyl formate	1087.77
1,2-dichloroethane	5341.05
n-hexanol	833.73
2-methoxyethanol	2170.13
isobutyl acetate	620.95
tetrachloromethane	1197.42
n-pentyl acetate	560.33
transcutol	5640.61
n-heptanol	267.07
ethylbenzene	568.6
MIBK	845.58
2-propoxyethanol	1495.31
tert-butanol	1563.06
MTBE	2417.99
2-butoxyethanol	574.9
propionic acid	1329.68
o-xylene	590.59
formic acid	404.05
diethyl ether	4216.12
m-xylene	658.48
p-xylene	550.93
chlorobenzene	1859.84
dimethyl carbonate	922.62
n-octane	53.89
formamide	967.41
cyclopentanone	2892.69
2-pentanone	2087.31
anisole	1445.13
cyclopentyl methyl ether	2229.07
gamma-butyrolactone	2874.87
1-methoxy-2-propanol	1415.36
pyridine	3504.7
3-pentanone	1949.53
furfural	2157.45
n-dodecane	33.26
diethylene glycol	1011.23
diisopropyl ether	703.53
tert-amyl alcohol	1372.12
acetylacetone	1991.42
n-hexadecane	40.13
acetophenone	875.98
methyl propionate	2385.81
isopentyl acetate	1083.17
trichloroethylene	7662.46
n-nonanol	255.2
cyclohexanol	1070.55
benzyl alcohol	721.38
2-ethylhexanol	496.89
isooctanol	223.62
dipropyl ether	1064.74
1,2-dichlorobenzene	1437.42
ethyl lactate	393.55
propylene carbonate	1289.76
n-methylformamide	1368.07
2-pentanol	930.77
n-pentane	344.85
1-propoxy-2-propanol	957.21
1-methoxy-2-propyl acetate	1267.91
2-(2-methoxypropoxy) propanol	734.2
mesitylene	364.83
ε-caprolactone	1938.59
p-cymene	243.26
epichlorohydrin	4638.61
1,1,1-trichloroethane	4382.94
2-aminoethanol	718.59
morpholine-4-carbaldehyde	2283.46
sulfolane	3383.65
2,2,4-trimethylpentane	148.31
2-methyltetrahydrofuran	3519.3
n-hexyl acetate	823.55
isooctane	117.0
2-(2-butoxyethoxy)ethanol	1063.26
sec-butyl acetate	801.79
tert-butyl acetate	1271.86
decalin	214.84
glycerin	607.46
diglyme	2136.92
acrylic acid	1097.18
isopropyl myristate	294.82
n-butyric acid	1362.0
acetyl acetate	1347.13
di(2-ethylhexyl) phthalate	245.4
ethyl propionate	1315.31
nitromethane	3576.99
1,2-diethoxyethane	2241.38
benzonitrile	1047.25
trioctyl phosphate	168.24
1-bromopropane	3129.74
gamma-valerolactone	2876.93
n-decanol	189.3
triethyl phosphate	363.23
4-methyl-2-pentanol	403.26
propionitrile	1939.14
vinylene carbonate	1167.31
1,1,2-trichlorotrifluoroethane	2451.39
DMS	987.62
cumene	292.55
2-octanol	185.04
2-hexanone	1237.58
octyl acetate	361.26
limonene	417.11
1,2-dimethoxyethane	2404.1
ethyl orthosilicate	389.1
tributyl phosphate	282.1
diacetone alcohol	1075.9
N,N-dimethylaniline	617.03
acrylonitrile	2125.62
aniline	1542.78
1,3-propanediol	939.22
bromobenzene	2273.84
dibromomethane	4689.88
1,1,2,2-tetrachloroethane	5961.27
2-methyl-cyclohexyl acetate	558.96
tetrabutyl urea	312.81
diisobutyl methanol	275.81
2-phenylethanol	632.78
styrene	923.1
dioctyl adipate	437.19
dimethyl sulfate	1351.33
ethyl butyrate	984.72
methyl lactate	590.99
butyl lactate	374.66
diethyl carbonate	661.79
propanediol butyl ether	543.43
triethyl orthoformate	602.21
p-tert-butyltoluene	238.18
methyl 4-tert-butylbenzoate	509.81
morpholine	4487.17
tert-butylamine	1137.6
n-dodecanol	148.32
dimethoxymethane	2123.32
ethylene carbonate	1064.44
cyrene	547.37
2-ethoxyethyl acetate	1075.58
2-ethylhexyl acetate	925.46
1,2,4-trichlorobenzene	1803.66
4-methylpyridine	2639.42
dibutyl ether	778.82
2,6-dimethyl-4-heptanol	275.81
DEF	2042.09
dimethyl isosorbide	1138.82
tetrachloroethylene	3647.22
eugenol	525.37
triacetin	776.84
span 80	536.6
1,4-butanediol	367.52
1,1-dichloroethane	4445.84
2-methyl-1-pentanol	788.09
methyl formate	1076.42
2-methyl-1-butanol	1051.69
n-decane	60.96
butyronitrile	1585.26
3,7-dimethyl-1-octanol	360.78
1-chlorooctane	323.8
1-chlorotetradecane	113.69
n-nonane	67.5
undecane	42.83
tert-butylcyclohexane	193.0
cyclooctane	202.75
cyclopentanol	998.97
tetrahydropyran	4177.51
tert-amyl methyl ether	1518.67
2,5,8-trioxanonane	1294.92
1-hexene	1099.41
2-isopropoxyethanol	961.08
2,2,2-trifluoroethanol	463.64
methyl butyrate	1451.51

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