Molecular formula
C12H16O6

SMILES
CC(=O)OC1C2CC3C(C(O2)CC1O3)OC(=O)C

Fragrance
Odorless	69.43%
Nutty	19.85%
Roasted	17.52%
Alcoholic	16.23%
Milky	16.15%
Cooked	15.58%
Clean	15.57%
Creamy	15.21%
Buttery	14.96%
Sweet	14.64%

 

Flavor
Bitter	67.5%
Fatty	29.64%
Odorless	26.7%
Fruity	26.55%
Sweet-like	23.79%
Sweet	21.69%
Bland	21.55%
Toffee	21.41%
Molasses	20.78%
Cotton candy	20.62%

 

Odor impact est.
Medium

XLogP3-AA
0.1

pKa est.
5.61 (weak acid)

Molecular weight
256.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
308°C

Flash point

• 157.23 ˚C est.

• Acetic acid, 8-acetoxy-2,6-dioxa-adamantan-4-yl ester
• GIKCKCPVCAVLFN-UHFFFAOYSA-N

Acetic acid, 8-acetoxy-2,6-dioxa-adamantan-4-yl ester is typically viewed as an organic-synthesis intermediate, particularly in pharmaceutical research, where it serves as a building block for more complex molecules. It commonly functions as a protecting group for hydroxyl functionalities (diols) in multi-step syntheses, thanks to the bulky adamantane-dioxane-like framework. Its bulky, lipophilic character can be leveraged as a building block to tune solubility and metabolic stability of small molecules. It may also be used as a precursor for advanced materials, including polymers, coatings, and adhesives, where the ester can be deprotected or further functionalized. Depending on regulatory constraints and formulation conditions, it may be evaluated for industrial applications as an intermediate or specialty reagent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5.54
methanol	14.81
isopropanol	6.72
water	7.81
ethyl acetate	41.6
n-propanol	4.34
acetone	53.43
n-butanol	4.1
acetonitrile	55.29
DMF	121.08
toluene	9.44
isobutanol	4.54
1,4-dioxane	59.14
methyl acetate	52.74
THF	64.43
2-butanone	29.83
n-pentanol	4.8
sec-butanol	4.53
n-hexane	0.39
ethylene glycol	6.92
NMP	140.37
cyclohexane	0.85
DMSO	260.13
n-butyl acetate	24.03
n-octanol	6.15
chloroform	82.32
n-propyl acetate	22.6
acetic acid	52.13
dichloromethane	107.15
cyclohexanone	55.48
propylene glycol	3.41
isopropyl acetate	22.85
DMAc	197.41
2-ethoxyethanol	31.24
isopentanol	5.72
n-heptane	0.52
ethyl formate	58.94
1,2-dichloroethane	56.11
n-hexanol	4.31
2-methoxyethanol	50.94
isobutyl acetate	13.58
tetrachloromethane	7.96
n-pentyl acetate	13.47
transcutol	56.24
n-heptanol	4.1
ethylbenzene	7.02
MIBK	13.78
2-propoxyethanol	30.94
tert-butanol	10.37
MTBE	6.23
2-butoxyethanol	18.61
propionic acid	20.01
o-xylene	10.4
formic acid	69.2
diethyl ether	8.0
m-xylene	7.96
p-xylene	13.2
chlorobenzene	24.44
dimethyl carbonate	35.27
n-octane	0.5
formamide	109.07
cyclopentanone	73.56
2-pentanone	18.99
anisole	17.81
cyclopentyl methyl ether	15.63
gamma-butyrolactone	160.88
1-methoxy-2-propanol	27.35
pyridine	54.46
3-pentanone	19.82
furfural	177.35
n-dodecane	0.84
diethylene glycol	43.45
diisopropyl ether	3.12
tert-amyl alcohol	7.32
acetylacetone	62.78
n-hexadecane	0.97
acetophenone	33.93
methyl propionate	36.39
isopentyl acetate	21.34
trichloroethylene	111.43
n-nonanol	6.51
cyclohexanol	8.04
benzyl alcohol	20.44
2-ethylhexanol	5.07
isooctanol	4.51
dipropyl ether	7.6
1,2-dichlorobenzene	31.61
ethyl lactate	20.36
propylene carbonate	79.44
n-methylformamide	64.09
2-pentanol	3.16
n-pentane	0.26
1-propoxy-2-propanol	18.91
1-methoxy-2-propyl acetate	32.26
2-(2-methoxypropoxy) propanol	31.25
mesitylene	5.9
ε-caprolactone	59.93
p-cymene	7.3
epichlorohydrin	112.56
1,1,1-trichloroethane	33.86
2-aminoethanol	7.47
morpholine-4-carbaldehyde	140.72
sulfolane	161.9
2,2,4-trimethylpentane	0.34
2-methyltetrahydrofuran	30.45
n-hexyl acetate	17.32
isooctane	0.25
2-(2-butoxyethoxy)ethanol	30.13
sec-butyl acetate	14.42
tert-butyl acetate	17.64
decalin	1.09
glycerin	15.5
diglyme	70.28
acrylic acid	27.61
isopropyl myristate	10.13
n-butyric acid	25.13
acetyl acetate	51.54
di(2-ethylhexyl) phthalate	14.36
ethyl propionate	24.98
nitromethane	207.0
1,2-diethoxyethane	23.23
benzonitrile	41.17
trioctyl phosphate	9.48
1-bromopropane	10.78
gamma-valerolactone	138.62
n-decanol	5.51
triethyl phosphate	22.28
4-methyl-2-pentanol	3.26
propionitrile	23.74
vinylene carbonate	89.65
1,1,2-trichlorotrifluoroethane	85.35
DMS	33.15
cumene	6.07
2-octanol	3.68
2-hexanone	15.6
octyl acetate	12.58
limonene	7.06
1,2-dimethoxyethane	78.73
ethyl orthosilicate	18.28
tributyl phosphate	13.86
diacetone alcohol	22.6
N,N-dimethylaniline	15.41
acrylonitrile	47.29
aniline	15.71
1,3-propanediol	13.09
bromobenzene	24.33
dibromomethane	43.47
1,1,2,2-tetrachloroethane	75.44
2-methyl-cyclohexyl acetate	20.03
tetrabutyl urea	21.24
diisobutyl methanol	4.97
2-phenylethanol	16.62
styrene	8.11
dioctyl adipate	18.66
dimethyl sulfate	80.53
ethyl butyrate	24.17
methyl lactate	27.46
butyl lactate	14.53
diethyl carbonate	25.2
propanediol butyl ether	15.36
triethyl orthoformate	20.19
p-tert-butyltoluene	6.03
methyl 4-tert-butylbenzoate	28.28
morpholine	42.11
tert-butylamine	4.51
n-dodecanol	4.8
dimethoxymethane	60.69
ethylene carbonate	73.39
cyrene	38.09
2-ethoxyethyl acetate	26.59
2-ethylhexyl acetate	18.08
1,2,4-trichlorobenzene	35.66
4-methylpyridine	50.65
dibutyl ether	8.95
2,6-dimethyl-4-heptanol	4.97
DEF	43.89
dimethyl isosorbide	59.18
tetrachloroethylene	48.16
eugenol	27.65
triacetin	33.95
span 80	17.8
1,4-butanediol	7.49
1,1-dichloroethane	32.18
2-methyl-1-pentanol	6.01
methyl formate	86.01
2-methyl-1-butanol	4.6
n-decane	1.12
butyronitrile	19.65
3,7-dimethyl-1-octanol	7.33
1-chlorooctane	4.59
1-chlorotetradecane	2.96
n-nonane	0.9
undecane	0.95
tert-butylcyclohexane	0.78
cyclooctane	0.47
cyclopentanol	10.56
tetrahydropyran	17.98
tert-amyl methyl ether	6.61
2,5,8-trioxanonane	58.58
1-hexene	1.66
2-isopropoxyethanol	19.92
2,2,2-trifluoroethanol	60.0
methyl butyrate	33.69

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