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

Chemical name: 2-(E-Prop-1-enyl)hydroquinone di-angelate; CAS number: is a phenol-derived diester that may be used in fragrance-related applications, serving as an odorant and fragrance fixative in perfumery, as a fragrance ingredient in cosmetics and personal care products, as an odorant additive in household products such as cleaners and air fresheners, as a potential antioxidant or processing stabilizer in polymer and plastic formulations, and as an intermediate or building block in the synthesis of fragrance esters and related specialty chemicals for industrial manufacturing.

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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