Molecular formula
C12H14O2

SMILES
CCC(=O)C=CC1=CC=C(C=C1)OC

Fragrance
Fruity	78.07%
Sweet	70.66%
Caramellic	54.13%
Vanilla	50.69%
Spicy	49.67%
Floral	48.23%
Balsamic	44.53%
Berry	43.01%
Cherry	42.59%
Powdery	40.04%

 

Flavor
Sweet	55.49%
Floral	47.24%
Spicy	38.33%
Balsam	37.87%
Cinnamon	36.31%
Spice	29.71%
Honey	27.14%
Vanilla	27.1%
Cherry	26.75%
Chocolate	26.6%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
7.67 (neutral)

Molecular weight
190.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
304°C

Flash point

• 124.13 ˚C est.

• CID 61008
• DTXSID4047412
• CHEMBL3189032
• SLDQOBRACOQXGE-UHFFFAOYSA-N
• NCGC00248213-01
• DB-040528
• NS00020918

CID 61008 is a chemical used in several industrial applications: as an intermediate in organic synthesis, as a solvent or co-solvent in manufacturing formulations, as an additive and stabilizer for plastics and polymer materials, as a coating and ink additive, and as a component in industrial cleaning formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	404.01
methanol	449.78
isopropanol	251.11
water	0.63
ethyl acetate	761.31
n-propanol	263.97
acetone	150.88
n-butanol	213.04
acetonitrile	437.35
DMF	135.22
toluene	196.48
isobutanol	141.86
1,4-dioxane	1158.76
methyl acetate	473.98
THF	410.52
2-butanone	254.27
n-pentanol	162.54
sec-butanol	194.21
n-hexane	8.29
ethylene glycol	93.01
NMP	74.83
cyclohexane	22.34
DMSO	288.08
n-butyl acetate	199.15
n-octanol	44.57
chloroform	1138.84
n-propyl acetate	221.02
acetic acid	315.31
dichloromethane	1210.37
cyclohexanone	215.29
propylene glycol	145.78
isopropyl acetate	228.21
DMAc	266.92
2-ethoxyethanol	406.49
isopentanol	155.29
n-heptane	8.93
ethyl formate	207.2
1,2-dichloroethane	610.19
n-hexanol	116.08
2-methoxyethanol	538.65
isobutyl acetate	120.39
tetrachloromethane	82.4
n-pentyl acetate	79.14
transcutol	1110.02
n-heptanol	45.48
ethylbenzene	97.93
MIBK	102.46
2-propoxyethanol	264.06
tert-butanol	340.92
MTBE	252.25
2-butoxyethanol	123.29
propionic acid	213.04
o-xylene	99.32
formic acid	127.61
diethyl ether	405.23
m-xylene	89.11
p-xylene	109.05
chlorobenzene	206.75
dimethyl carbonate	120.32
n-octane	5.16
formamide	270.12
cyclopentanone	158.5
2-pentanone	160.67
anisole	267.43
cyclopentyl methyl ether	144.41
gamma-butyrolactone	258.88
1-methoxy-2-propanol	299.84
pyridine	591.67
3-pentanone	152.59
furfural	345.87
n-dodecane	5.95
diethylene glycol	248.89
diisopropyl ether	61.27
tert-amyl alcohol	220.06
acetylacetone	248.85
n-hexadecane	6.8
acetophenone	177.93
methyl propionate	291.71
isopentyl acetate	166.76
trichloroethylene	1045.68
n-nonanol	46.69
cyclohexanol	151.53
benzyl alcohol	192.66
2-ethylhexanol	67.67
isooctanol	39.71
dipropyl ether	102.59
1,2-dichlorobenzene	175.89
ethyl lactate	87.1
propylene carbonate	175.29
n-methylformamide	138.98
2-pentanol	126.28
n-pentane	6.9
1-propoxy-2-propanol	158.6
1-methoxy-2-propyl acetate	228.16
2-(2-methoxypropoxy) propanol	175.06
mesitylene	50.49
ε-caprolactone	240.68
p-cymene	43.51
epichlorohydrin	539.2
1,1,1-trichloroethane	427.6
2-aminoethanol	177.07
morpholine-4-carbaldehyde	321.6
sulfolane	198.93
2,2,4-trimethylpentane	9.17
2-methyltetrahydrofuran	294.29
n-hexyl acetate	109.19
isooctane	6.29
2-(2-butoxyethoxy)ethanol	227.6
sec-butyl acetate	151.48
tert-butyl acetate	189.6
decalin	17.69
glycerin	182.97
diglyme	481.45
acrylic acid	167.21
isopropyl myristate	52.9
n-butyric acid	285.28
acetyl acetate	334.6
di(2-ethylhexyl) phthalate	55.31
ethyl propionate	201.23
nitromethane	472.1
1,2-diethoxyethane	371.04
benzonitrile	200.85
trioctyl phosphate	31.23
1-bromopropane	263.6
gamma-valerolactone	328.46
n-decanol	37.13
triethyl phosphate	83.64
4-methyl-2-pentanol	60.16
propionitrile	287.8
vinylene carbonate	203.52
1,1,2-trichlorotrifluoroethane	336.52
DMS	172.44
cumene	56.59
2-octanol	30.69
2-hexanone	137.34
octyl acetate	60.02
limonene	55.58
1,2-dimethoxyethane	588.38
ethyl orthosilicate	84.38
tributyl phosphate	48.68
diacetone alcohol	175.9
N,N-dimethylaniline	132.5
acrylonitrile	332.82
aniline	244.13
1,3-propanediol	271.54
bromobenzene	226.18
dibromomethane	658.97
1,1,2,2-tetrachloroethane	729.53
2-methyl-cyclohexyl acetate	109.1
tetrabutyl urea	58.86
diisobutyl methanol	46.72
2-phenylethanol	148.4
styrene	147.65
dioctyl adipate	90.09
dimethyl sulfate	128.32
ethyl butyrate	170.04
methyl lactate	111.11
butyl lactate	64.05
diethyl carbonate	145.07
propanediol butyl ether	106.06
triethyl orthoformate	124.71
p-tert-butyltoluene	42.44
methyl 4-tert-butylbenzoate	116.02
morpholine	904.43
tert-butylamine	162.74
n-dodecanol	30.93
dimethoxymethane	270.63
ethylene carbonate	179.56
cyrene	126.4
2-ethoxyethyl acetate	188.01
2-ethylhexyl acetate	128.91
1,2,4-trichlorobenzene	212.99
4-methylpyridine	351.48
dibutyl ether	91.66
2,6-dimethyl-4-heptanol	46.72
DEF	204.86
dimethyl isosorbide	252.01
tetrachloroethylene	431.48
eugenol	128.96
triacetin	162.88
span 80	109.26
1,4-butanediol	101.49
1,1-dichloroethane	517.08
2-methyl-1-pentanol	130.03
methyl formate	114.0
2-methyl-1-butanol	144.44
n-decane	8.79
butyronitrile	224.13
3,7-dimethyl-1-octanol	58.47
1-chlorooctane	37.5
1-chlorotetradecane	19.11
n-nonane	7.51
undecane	7.05
tert-butylcyclohexane	16.63
cyclooctane	7.04
cyclopentanol	104.74
tetrahydropyran	541.42
tert-amyl methyl ether	152.53
2,5,8-trioxanonane	365.89
1-hexene	54.92
2-isopropoxyethanol	234.15
2,2,2-trifluoroethanol	100.48
methyl butyrate	225.72

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