Molecular formula
C32H44O8

SMILES
CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O

Safety labels

Fragrance
Woody	56.94%
Odorless	36.29%
Dry	28.97%
Mint	27.71%
Cedar	26.28%
Sweet	26.18%
Amber	24.21%
Floral	24.05%
Spicy	22.08%
Cooling	21.78%

 

Flavor
Bitter	87.95%
Odorless	25.41%
Bland	22.31%
Cedarleaf	20.93%
Sweet-like	20.69%
Ripe apricot	19.83%
Red fruit	19.62%
Heather	19.59%
Broom	19.55%
Parsley	19.4%

 

Odor impact est.
Low

XLogP3-AA
3.2

pKa est.
5.13 (weak acid)

Molecular weight
556.7 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
422°C

Flash point

• 270.68 ˚C est.

• NSC106399
• CUE
• ELATERIN, .alpha.
• [(E)-5-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
• 19-Nor-9.beta.,10.alpha.-lanosta-1,5,23-triene-3,11,22-trione, 2, 16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate
• 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16, 20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-
• 5-(2,16-Dihydroxy-4,4,9,14-tetramethyl-3,11-dioxoestra-1,5-dien-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-2-hexenyl acetate
• Cucurbitacine E

ELATERIN, alpha is viewed as an organic synthesis intermediate and may serve as a reagent in materials research and development; it may be used as a solvent or co-solvent for niche formulations in industrial processes, and is considered a processing additive or modifier for coatings and inks; its use depends on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	44.42
methanol	97.32
isopropanol	16.84
water	0.06
ethyl acetate	10.62
n-propanol	33.98
acetone	37.78
n-butanol	13.97
acetonitrile	11.63
DMF	323.14
toluene	4.06
isobutanol	12.28
1,4-dioxane	70.05
methyl acetate	16.96
THF	183.2
2-butanone	24.24
n-pentanol	9.44
sec-butanol	8.53
n-hexane	0.27
ethylene glycol	18.28
NMP	204.41
cyclohexane	0.29
DMSO	181.53
n-butyl acetate	4.86
n-octanol	2.33
chloroform	46.19
n-propyl acetate	6.33
acetic acid	59.12
dichloromethane	40.71
cyclohexanone	31.91
propylene glycol	29.15
isopropyl acetate	5.27
DMAc	156.6
2-ethoxyethanol	54.33
isopentanol	5.66
n-heptane	0.14
ethyl formate	14.19
1,2-dichloroethane	19.3
n-hexanol	5.96
2-methoxyethanol	143.06
isobutyl acetate	3.41
tetrachloromethane	3.29
n-pentyl acetate	5.34
transcutol	32.24
n-heptanol	3.76
ethylbenzene	1.66
MIBK	5.69
2-propoxyethanol	63.73
tert-butanol	6.73
MTBE	3.77
2-butoxyethanol	21.98
propionic acid	22.48
o-xylene	1.71
formic acid	51.28
diethyl ether	9.88
m-xylene	1.7
p-xylene	1.84
chlorobenzene	5.6
dimethyl carbonate	22.43
n-octane	0.07
formamide	64.28
cyclopentanone	91.4
2-pentanone	13.91
anisole	6.78
cyclopentyl methyl ether	18.41
gamma-butyrolactone	105.2
1-methoxy-2-propanol	76.75
pyridine	45.77
3-pentanone	11.15
furfural	64.24
n-dodecane	0.04
diethylene glycol	56.41
diisopropyl ether	0.92
tert-amyl alcohol	4.71
acetylacetone	19.6
n-hexadecane	0.05
acetophenone	7.94
methyl propionate	21.65
isopentyl acetate	3.67
trichloroethylene	45.93
n-nonanol	2.46
cyclohexanol	5.73
benzyl alcohol	10.93
2-ethylhexanol	1.81
isooctanol	2.24
dipropyl ether	3.77
1,2-dichlorobenzene	4.62
ethyl lactate	7.44
propylene carbonate	23.51
n-methylformamide	119.55
2-pentanol	3.89
n-pentane	0.27
1-propoxy-2-propanol	23.24
1-methoxy-2-propyl acetate	13.11
2-(2-methoxypropoxy) propanol	10.42
mesitylene	0.67
ε-caprolactone	28.02
p-cymene	0.6
epichlorohydrin	111.32
1,1,1-trichloroethane	7.95
2-aminoethanol	46.74
morpholine-4-carbaldehyde	175.38
sulfolane	132.24
2,2,4-trimethylpentane	0.08
2-methyltetrahydrofuran	32.06
n-hexyl acetate	5.71
isooctane	0.05
2-(2-butoxyethoxy)ethanol	16.51
sec-butyl acetate	2.89
tert-butyl acetate	4.58
decalin	0.15
glycerin	51.57
diglyme	35.92
acrylic acid	31.17
isopropyl myristate	1.08
n-butyric acid	19.36
acetyl acetate	7.61
di(2-ethylhexyl) phthalate	2.96
ethyl propionate	6.08
nitromethane	104.64
1,2-diethoxyethane	7.54
benzonitrile	6.64
trioctyl phosphate	1.81
1-bromopropane	6.71
gamma-valerolactone	165.67
n-decanol	1.27
triethyl phosphate	2.37
4-methyl-2-pentanol	1.76
propionitrile	11.09
vinylene carbonate	27.54
1,1,2-trichlorotrifluoroethane	77.5
DMS	7.86
cumene	0.82
2-octanol	1.59
2-hexanone	8.42
octyl acetate	2.2
limonene	0.86
1,2-dimethoxyethane	62.88
ethyl orthosilicate	2.11
tributyl phosphate	1.72
diacetone alcohol	11.59
N,N-dimethylaniline	4.84
acrylonitrile	21.77
aniline	9.35
1,3-propanediol	45.36
bromobenzene	4.68
dibromomethane	18.8
1,1,2,2-tetrachloroethane	31.53
2-methyl-cyclohexyl acetate	3.57
tetrabutyl urea	3.37
diisobutyl methanol	0.77
2-phenylethanol	8.63
styrene	1.97
dioctyl adipate	2.89
dimethyl sulfate	42.67
ethyl butyrate	3.65
methyl lactate	23.95
butyl lactate	7.42
diethyl carbonate	2.45
propanediol butyl ether	18.26
triethyl orthoformate	3.44
p-tert-butyltoluene	0.57
methyl 4-tert-butylbenzoate	7.39
morpholine	109.22
tert-butylamine	1.91
n-dodecanol	0.66
dimethoxymethane	126.59
ethylene carbonate	18.02
cyrene	27.22
2-ethoxyethyl acetate	12.79
2-ethylhexyl acetate	2.75
1,2,4-trichlorobenzene	7.54
4-methylpyridine	23.03
dibutyl ether	1.56
2,6-dimethyl-4-heptanol	0.77
DEF	27.36
dimethyl isosorbide	23.48
tetrachloroethylene	21.19
eugenol	9.99
triacetin	8.1
span 80	10.3
1,4-butanediol	15.38
1,1-dichloroethane	11.63
2-methyl-1-pentanol	4.25
methyl formate	70.47
2-methyl-1-butanol	6.55
n-decane	0.11
butyronitrile	7.57
3,7-dimethyl-1-octanol	1.38
1-chlorooctane	0.72
1-chlorotetradecane	0.17
n-nonane	0.1
undecane	0.06
tert-butylcyclohexane	0.12
cyclooctane	0.1
cyclopentanol	16.88
tetrahydropyran	28.04
tert-amyl methyl ether	3.46
2,5,8-trioxanonane	18.1
1-hexene	1.37
2-isopropoxyethanol	19.29
2,2,2-trifluoroethanol	20.08
methyl butyrate	8.52

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