Molecular formula
C11H18O2

SMILES
CC1CC=CCC12COC(OC2)C

Fragrance
Green	70.69%
Herbal	53.25%
Spicy	47.08%
Woody	45.74%
Fruity	40.93%
Floral	39.75%
Natural	29.93%
Fresh	29.73%
Dry	25.54%
Mint	23.73%

 

Flavor
Green	30.27%
Fruity	29.37%
Woody	27.03%
Spicy	26.99%
Earthy	26.76%
Floral	25.25%
Herbal	25.08%
Sweet	24.32%
Mint	24.25%
Musty	23.28%

 

Odor impact est.
High

XLogP3-AA
2.3

pKa est.
7.04 (neutral)

Molecular weight
182.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
225°C

Flash point

• 84.2 ˚C est.

• SCHEMBL11639871

3,11-Dimethyl-2,4-dioxaspiro[5.5]undec-8-ene is primarily used as a protected diol building block in organic synthesis. Its dioxaspiro acetal moiety serves as a stable protecting group for polyhydroxylated substrates, including carbohydrate derivatives and pharmaceutical intermediates, enabling selective functionalization. The molecule also contains a vinyl (alkene) function that can participate in polymerization, so it is evaluated as a building block or comonomer for specialty polymers and coatings. In formulation contexts, it may be used as a reactive intermediate or crosslinkable component in UV-curable coatings and adhesives, contributing to network formation upon curing. It can serve as an intermediary in the synthesis of more complex organic molecules and fine chemicals, subject to appropriate handling and regulatory considerations. Potential applications are typically explored in research settings, and scale-up depends on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	177.87
methanol	122.58
isopropanol	181.6
water	1.71
ethyl acetate	203.13
n-propanol	174.11
acetone	123.54
n-butanol	180.24
acetonitrile	174.01
DMF	119.28
toluene	223.19
isobutanol	139.82
1,4-dioxane	482.31
methyl acetate	178.32
THF	377.19
2-butanone	169.6
n-pentanol	108.2
sec-butanol	161.85
n-hexane	21.56
ethylene glycol	33.01
NMP	98.73
cyclohexane	86.21
DMSO	139.78
n-butyl acetate	150.97
n-octanol	95.01
chloroform	973.71
n-propyl acetate	114.25
acetic acid	139.82
dichloromethane	654.1
cyclohexanone	231.19
propylene glycol	68.92
isopropyl acetate	123.13
DMAc	134.49
2-ethoxyethanol	144.94
isopentanol	157.48
n-heptane	28.93
ethyl formate	139.83
1,2-dichloroethane	282.95
n-hexanol	167.95
2-methoxyethanol	209.3
isobutyl acetate	86.11
tetrachloromethane	152.99
n-pentyl acetate	99.26
transcutol	512.02
n-heptanol	95.23
ethylbenzene	103.2
MIBK	106.61
2-propoxyethanol	201.23
tert-butanol	213.92
MTBE	142.27
2-butoxyethanol	131.68
propionic acid	132.32
o-xylene	138.12
formic acid	43.48
diethyl ether	165.13
m-xylene	146.73
p-xylene	143.15
chlorobenzene	216.12
dimethyl carbonate	61.94
n-octane	15.29
formamide	71.5
cyclopentanone	210.09
2-pentanone	128.65
anisole	152.08
cyclopentyl methyl ether	170.65
gamma-butyrolactone	229.16
1-methoxy-2-propanol	195.84
pyridine	339.04
3-pentanone	111.37
furfural	258.67
n-dodecane	16.67
diethylene glycol	140.79
diisopropyl ether	64.06
tert-amyl alcohol	154.39
acetylacetone	148.16
n-hexadecane	19.18
acetophenone	136.52
methyl propionate	129.64
isopentyl acetate	142.93
trichloroethylene	539.68
n-nonanol	88.71
cyclohexanol	188.87
benzyl alcohol	132.88
2-ethylhexanol	109.43
isooctanol	79.2
dipropyl ether	106.25
1,2-dichlorobenzene	187.26
ethyl lactate	70.42
propylene carbonate	177.11
n-methylformamide	80.45
2-pentanol	131.93
n-pentane	34.23
1-propoxy-2-propanol	159.78
1-methoxy-2-propyl acetate	149.88
2-(2-methoxypropoxy) propanol	146.09
mesitylene	98.17
ε-caprolactone	216.16
p-cymene	82.48
epichlorohydrin	309.76
1,1,1-trichloroethane	330.32
2-aminoethanol	84.11
morpholine-4-carbaldehyde	196.87
sulfolane	199.79
2,2,4-trimethylpentane	23.1
2-methyltetrahydrofuran	258.12
n-hexyl acetate	145.99
isooctane	20.39
2-(2-butoxyethoxy)ethanol	194.51
sec-butyl acetate	91.76
tert-butyl acetate	124.25
decalin	38.31
glycerin	82.56
diglyme	314.86
acrylic acid	103.87
isopropyl myristate	74.94
n-butyric acid	204.15
acetyl acetate	146.41
di(2-ethylhexyl) phthalate	72.9
ethyl propionate	106.46
nitromethane	179.51
1,2-diethoxyethane	185.01
benzonitrile	200.59
trioctyl phosphate	53.6
1-bromopropane	215.42
gamma-valerolactone	269.24
n-decanol	71.28
triethyl phosphate	72.57
4-methyl-2-pentanol	87.48
propionitrile	176.76
vinylene carbonate	192.48
1,1,2-trichlorotrifluoroethane	190.6
DMS	111.76
cumene	80.62
2-octanol	65.02
2-hexanone	102.75
octyl acetate	88.24
limonene	98.7
1,2-dimethoxyethane	239.14
ethyl orthosilicate	73.98
tributyl phosphate	63.62
diacetone alcohol	136.72
N,N-dimethylaniline	99.53
acrylonitrile	176.17
aniline	203.12
1,3-propanediol	138.19
bromobenzene	257.39
dibromomethane	473.97
1,1,2,2-tetrachloroethane	461.19
2-methyl-cyclohexyl acetate	117.38
tetrabutyl urea	71.14
diisobutyl methanol	75.88
2-phenylethanol	142.09
styrene	122.61
dioctyl adipate	94.43
dimethyl sulfate	71.02
ethyl butyrate	125.45
methyl lactate	79.75
butyl lactate	86.37
diethyl carbonate	97.64
propanediol butyl ether	123.79
triethyl orthoformate	102.57
p-tert-butyltoluene	80.57
methyl 4-tert-butylbenzoate	135.53
morpholine	419.5
tert-butylamine	158.03
n-dodecanol	59.26
dimethoxymethane	139.91
ethylene carbonate	169.29
cyrene	113.51
2-ethoxyethyl acetate	132.2
2-ethylhexyl acetate	117.87
1,2,4-trichlorobenzene	216.33
4-methylpyridine	286.17
dibutyl ether	96.49
2,6-dimethyl-4-heptanol	75.88
DEF	122.45
dimethyl isosorbide	218.14
tetrachloroethylene	291.17
eugenol	121.19
triacetin	147.75
span 80	129.84
1,4-butanediol	52.27
1,1-dichloroethane	331.7
2-methyl-1-pentanol	104.43
methyl formate	67.21
2-methyl-1-butanol	138.54
n-decane	24.95
butyronitrile	197.14
3,7-dimethyl-1-octanol	98.01
1-chlorooctane	74.23
1-chlorotetradecane	38.19
n-nonane	22.05
undecane	19.89
tert-butylcyclohexane	31.23
cyclooctane	32.36
cyclopentanol	155.21
tetrahydropyran	381.09
tert-amyl methyl ether	102.16
2,5,8-trioxanonane	230.57
1-hexene	69.04
2-isopropoxyethanol	114.91
2,2,2-trifluoroethanol	63.04
methyl butyrate	127.68

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