Molecular formula
C12H12O3

SMILES
C=CCC1=CC2=C(C=C1)OCC(=O)CO2

Fragrance
Floral	66.52%
Spicy	54.99%
Herbal	51.65%
Fatty	47.39%
Green	45.42%
Sweet	42.83%
Aldehydic	42.33%
Fresh	40.83%
Coconut	35.78%
Ozone	34.52%

 

Flavor
Sweet	86.8%
Woody	64.77%
Spice	62.12%
Spicy	54.38%
Floral	52.47%
Cinnamon	42.74%
Clove	42.26%
Vanilla	39.69%
Balsam	39.01%
Warm	38.39%

 

Odor impact est.
Medium

XLogP3-AA
2.6

pKa est.
7.92 (neutral)

Molecular weight
204.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
329°C

Flash point

• 154.25 ˚C est.

• SCHEMBL5393754
• WYCAMOVJBJBXCY-UHFFFAOYSA-N
• 7-allylbenzo[b][1,4]dioxepin-3-one

7-Allylbenzo[b][1,4]dioxepin-3-one is primarily used as an organic synthesis intermediate and as a reactive monomer in polymer formulations. Its allyl group enables participation in radical or cationic polymerization, allowing it to function as a crosslinkable monomer or reactive diluent in UV- or heat-curable coatings, inks, and resins. It also serves as a building block for specialty polymers and high-performance materials in industrial manufacturing. In adhesives and sealants, it can act as a crosslinking modifier to enhance chemical resistance and mechanical properties.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	98.7
methanol	167.11
isopropanol	58.19
water	0.99
ethyl acetate	208.12
n-propanol	66.81
acetone	311.47
n-butanol	61.0
acetonitrile	219.16
DMF	455.54
toluene	68.9
isobutanol	50.59
1,4-dioxane	293.32
methyl acetate	222.04
THF	381.44
2-butanone	195.35
n-pentanol	62.43
sec-butanol	56.03
n-hexane	3.76
ethylene glycol	89.27
NMP	310.01
cyclohexane	11.78
DMSO	899.27
n-butyl acetate	116.57
n-octanol	32.66
chloroform	473.83
n-propyl acetate	136.38
acetic acid	289.91
dichloromethane	606.56
cyclohexanone	219.34
propylene glycol	57.39
isopropyl acetate	101.89
DMAc	385.96
2-ethoxyethanol	231.49
isopentanol	67.58
n-heptane	6.34
ethyl formate	165.71
1,2-dichloroethane	400.42
n-hexanol	58.3
2-methoxyethanol	304.88
isobutyl acetate	78.63
tetrachloromethane	41.84
n-pentyl acetate	60.62
transcutol	765.62
n-heptanol	31.18
ethylbenzene	40.0
MIBK	96.0
2-propoxyethanol	151.98
tert-butanol	104.2
MTBE	92.28
2-butoxyethanol	92.95
propionic acid	114.63
o-xylene	51.17
formic acid	172.55
diethyl ether	114.12
m-xylene	44.51
p-xylene	48.97
chlorobenzene	120.04
dimethyl carbonate	126.54
n-octane	3.33
formamide	327.94
cyclopentanone	320.42
2-pentanone	141.33
anisole	129.4
cyclopentyl methyl ether	120.85
gamma-butyrolactone	366.54
1-methoxy-2-propanol	170.6
pyridine	251.59
3-pentanone	120.48
furfural	381.27
n-dodecane	3.96
diethylene glycol	204.15
diisopropyl ether	33.22
tert-amyl alcohol	84.26
acetylacetone	231.95
n-hexadecane	4.51
acetophenone	133.81
methyl propionate	157.94
isopentyl acetate	99.63
trichloroethylene	671.36
n-nonanol	31.06
cyclohexanol	71.51
benzyl alcohol	113.77
2-ethylhexanol	46.4
isooctanol	29.89
dipropyl ether	56.21
1,2-dichlorobenzene	118.62
ethyl lactate	84.11
propylene carbonate	197.57
n-methylformamide	233.63
2-pentanol	41.74
n-pentane	4.14
1-propoxy-2-propanol	95.26
1-methoxy-2-propyl acetate	128.93
2-(2-methoxypropoxy) propanol	122.54
mesitylene	30.86
ε-caprolactone	193.55
p-cymene	31.48
epichlorohydrin	461.37
1,1,1-trichloroethane	196.77
2-aminoethanol	89.24
morpholine-4-carbaldehyde	354.05
sulfolane	446.63
2,2,4-trimethylpentane	5.81
2-methyltetrahydrofuran	195.51
n-hexyl acetate	80.84
isooctane	4.24
2-(2-butoxyethoxy)ethanol	160.16
sec-butyl acetate	84.55
tert-butyl acetate	112.51
decalin	8.95
glycerin	131.38
diglyme	370.11
acrylic acid	145.3
isopropyl myristate	38.29
n-butyric acid	137.08
acetyl acetate	159.68
di(2-ethylhexyl) phthalate	46.71
ethyl propionate	109.51
nitromethane	582.47
1,2-diethoxyethane	170.73
benzonitrile	126.25
trioctyl phosphate	31.74
1-bromopropane	117.89
gamma-valerolactone	349.96
n-decanol	25.53
triethyl phosphate	61.76
4-methyl-2-pentanol	36.74
propionitrile	121.98
vinylene carbonate	199.8
1,1,2-trichlorotrifluoroethane	318.46
DMS	130.18
cumene	30.0
2-octanol	20.62
2-hexanone	112.28
octyl acetate	48.0
limonene	43.34
1,2-dimethoxyethane	342.37
ethyl orthosilicate	56.62
tributyl phosphate	43.54
diacetone alcohol	136.8
N,N-dimethylaniline	78.13
acrylonitrile	190.84
aniline	106.15
1,3-propanediol	116.11
bromobenzene	122.41
dibromomethane	323.31
1,1,2,2-tetrachloroethane	442.16
2-methyl-cyclohexyl acetate	76.84
tetrabutyl urea	56.25
diisobutyl methanol	32.28
2-phenylethanol	88.65
styrene	60.64
dioctyl adipate	69.22
dimethyl sulfate	213.25
ethyl butyrate	97.29
methyl lactate	110.38
butyl lactate	62.3
diethyl carbonate	81.31
propanediol butyl ether	93.44
triethyl orthoformate	72.77
p-tert-butyltoluene	29.73
methyl 4-tert-butylbenzoate	94.16
morpholine	276.64
tert-butylamine	50.77
n-dodecanol	22.1
dimethoxymethane	262.07
ethylene carbonate	161.8
cyrene	130.66
2-ethoxyethyl acetate	119.85
2-ethylhexyl acetate	78.0
1,2,4-trichlorobenzene	147.24
4-methylpyridine	180.16
dibutyl ether	53.46
2,6-dimethyl-4-heptanol	32.28
DEF	171.64
dimethyl isosorbide	184.06
tetrachloroethylene	276.55
eugenol	97.23
triacetin	128.86
span 80	81.02
1,4-butanediol	65.54
1,1-dichloroethane	233.6
2-methyl-1-pentanol	64.83
methyl formate	240.94
2-methyl-1-butanol	58.89
n-decane	5.52
butyronitrile	98.68
3,7-dimethyl-1-octanol	40.45
1-chlorooctane	25.73
1-chlorotetradecane	12.98
n-nonane	4.82
undecane	4.6
tert-butylcyclohexane	7.67
cyclooctane	4.54
cyclopentanol	79.04
tetrahydropyran	179.33
tert-amyl methyl ether	72.73
2,5,8-trioxanonane	245.83
1-hexene	20.79
2-isopropoxyethanol	141.79
2,2,2-trifluoroethanol	137.56
methyl butyrate	144.89

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