SMILES
C/C=C/c1cc(O)ccc1O.CC(C)C(O)=O.CC(C)C(O)=O

Fragrance
Phenolic	76.45%
Spicy	67.49%
Smoky	53.1%
Medicinal	48.37%
Sweet	43.29%
Woody	41.61%
Burnt	37.54%
Clove	33.88%
Vanilla	31.86%
Balsamic	28.21%

 

Flavor
Bitter	54.11%
Phenolic	47.54%
Medicinal	33.08%
Spicy	31.5%
Medical	25.59%
Mild	24.8%
Sweet	24.47%
Woody	24.18%
Guaiacol	22.63%
Clove	22.6%

 

Odor impact est.
Medium

pKa est.
11.1 (strong base)

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
293°C

Flash point

• 148.7 ˚C est.

2-(E-Prop-1-enyl)hydroquinone di-isobutyrate may be used as a specialty intermediate in organic synthesis and is often evaluated as an antioxidant or stabilizer additive for polymers and coatings; it can function as a processing aid or plasticizer in polymer formulations; it may find applications in cosmetics/personal care as an ingredient or functional additive; it could be explored as a fragrance-related intermediate in perfumery; and, more broadly, it serves as a building block in the manufacture of specialty chemicals.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	591.9
methanol	505.61
isopropanol	499.07
water	0.83
ethyl acetate	241.93
n-propanol	442.06
acetone	585.57
n-butanol	354.2
acetonitrile	328.55
DMF	887.24
toluene	63.51
isobutanol	272.43
1,4-dioxane	383.14
methyl acetate	309.03
THF	862.44
2-butanone	444.31
n-pentanol	203.32
sec-butanol	349.5
n-hexane	12.77
ethylene glycol	156.22
NMP	231.42
cyclohexane	13.44
DMSO	903.27
n-butyl acetate	157.7
n-octanol	116.53
chloroform	170.97
n-propyl acetate	137.94
acetic acid	150.36
dichloromethane	239.86
cyclohexanone	239.18
propylene glycol	186.07
isopropyl acetate	116.53
DMAc	468.56
2-ethoxyethanol	259.64
isopentanol	213.76
n-heptane	24.37
ethyl formate	186.28
1,2-dichloroethane	182.65
n-hexanol	271.36
2-methoxyethanol	479.03
isobutyl acetate	75.6
tetrachloromethane	30.17
n-pentyl acetate	81.6
transcutol	261.08
n-heptanol	121.31
ethylbenzene	53.21
MIBK	142.43
2-propoxyethanol	307.66
tert-butanol	527.48
MTBE	264.12
2-butoxyethanol	158.22
propionic acid	177.76
o-xylene	54.22
formic acid	52.83
diethyl ether	259.29
m-xylene	65.91
p-xylene	55.05
chlorobenzene	60.89
dimethyl carbonate	104.96
n-octane	12.18
formamide	154.85
cyclopentanone	426.68
2-pentanone	312.79
anisole	129.9
cyclopentyl methyl ether	190.37
gamma-butyrolactone	368.87
1-methoxy-2-propanol	361.74
pyridine	162.46
3-pentanone	187.95
furfural	193.44
n-dodecane	12.83
diethylene glycol	242.19
diisopropyl ether	56.06
tert-amyl alcohol	333.39
acetylacetone	220.95
n-hexadecane	13.69
acetophenone	100.73
methyl propionate	222.11
isopentyl acetate	127.78
trichloroethylene	236.96
n-nonanol	99.21
cyclohexanol	147.99
benzyl alcohol	98.97
2-ethylhexanol	122.41
isooctanol	89.3
dipropyl ether	141.21
1,2-dichlorobenzene	53.99
ethyl lactate	79.32
propylene carbonate	145.72
n-methylformamide	356.09
2-pentanol	216.05
n-pentane	16.05
1-propoxy-2-propanol	215.92
1-methoxy-2-propyl acetate	144.87
2-(2-methoxypropoxy) propanol	122.34
mesitylene	43.17
ε-caprolactone	162.3
p-cymene	46.1
epichlorohydrin	407.74
1,1,1-trichloroethane	130.39
2-aminoethanol	256.96
morpholine-4-carbaldehyde	247.72
sulfolane	361.11
2,2,4-trimethylpentane	12.78
2-methyltetrahydrofuran	367.01
n-hexyl acetate	125.26
isooctane	12.44
2-(2-butoxyethoxy)ethanol	158.36
sec-butyl acetate	77.81
tert-butyl acetate	129.74
decalin	13.23
glycerin	171.77
diglyme	267.62
acrylic acid	113.6
isopropyl myristate	61.32
n-butyric acid	194.54
acetyl acetate	88.36
di(2-ethylhexyl) phthalate	51.08
ethyl propionate	114.25
nitromethane	314.65
1,2-diethoxyethane	131.62
benzonitrile	92.07
trioctyl phosphate	51.63
1-bromopropane	142.62
gamma-valerolactone	290.48
n-decanol	81.15
triethyl phosphate	52.96
4-methyl-2-pentanol	104.25
propionitrile	256.77
vinylene carbonate	121.8
1,1,2-trichlorotrifluoroethane	170.35
DMS	79.39
cumene	42.58
2-octanol	84.91
2-hexanone	170.98
octyl acetate	80.54
limonene	65.28
1,2-dimethoxyethane	389.43
ethyl orthosilicate	48.7
tributyl phosphate	49.67
diacetone alcohol	201.94
N,N-dimethylaniline	88.76
acrylonitrile	252.58
aniline	91.12
1,3-propanediol	297.52
bromobenzene	54.95
dibromomethane	150.26
1,1,2,2-tetrachloroethane	171.47
2-methyl-cyclohexyl acetate	78.97
tetrabutyl urea	76.54
diisobutyl methanol	71.46
2-phenylethanol	116.83
styrene	55.69
dioctyl adipate	72.35
dimethyl sulfate	138.93
ethyl butyrate	120.96
methyl lactate	108.85
butyl lactate	68.37
diethyl carbonate	74.7
propanediol butyl ether	126.16
triethyl orthoformate	66.15
p-tert-butyltoluene	45.96
methyl 4-tert-butylbenzoate	104.05
morpholine	416.62
tert-butylamine	253.04
n-dodecanol	65.61
dimethoxymethane	442.64
ethylene carbonate	103.78
cyrene	115.06
2-ethoxyethyl acetate	99.77
2-ethylhexyl acetate	87.66
1,2,4-trichlorobenzene	61.71
4-methylpyridine	153.56
dibutyl ether	91.7
2,6-dimethyl-4-heptanol	71.46
DEF	230.01
dimethyl isosorbide	179.48
tetrachloroethylene	93.77
eugenol	104.93
triacetin	85.96
span 80	100.55
1,4-butanediol	126.15
1,1-dichloroethane	207.63
2-methyl-1-pentanol	141.97
methyl formate	267.82
2-methyl-1-butanol	214.32
n-decane	18.66
butyronitrile	251.96
3,7-dimethyl-1-octanol	98.76
1-chlorooctane	61.95
1-chlorotetradecane	29.3
n-nonane	17.56
undecane	15.26
tert-butylcyclohexane	15.84
cyclooctane	7.27
cyclopentanol	216.19
tetrahydropyran	314.79
tert-amyl methyl ether	167.98
2,5,8-trioxanonane	205.08
1-hexene	64.99
2-isopropoxyethanol	171.66
2,2,2-trifluoroethanol	53.96
methyl butyrate	163.29

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