Molecular formula
C10H12O2

SMILES
COC1=CC=C(C=C1)C=CCO

Fragrance
Sweet	87.48%
Floral	80.38%
Spicy	67.94%
Balsamic	63.77%
Cinnamon	56.57%
Anisic	51.38%
Vanilla	48.8%
Powdery	48.07%
Cherry	40.13%
Fruity	39.74%

 

Flavor
Sweet	87.68%
Floral	61.97%
Spicy	61.96%
Balsam	59.69%
Cinnamon	53.07%
Bitter	50.64%
Hyacinth	48.4%
Vanilla	48.36%
Anise	42.12%
Green	42.02%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
7.88 (neutral)

Molecular weight
164.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
303°C

Flash point

• 137.49 ˚C est.

• NYICIIFSBJOBKE-UHFFFAOYSA-N
• DTXSID901025775
• CID 95641
• AKOS026730685
• DB-182758

CID 95641 is an organic chemical used as an intermediate in organic synthesis, as a solvent for reactions and processing, as a processing aid or additive in plastics, polymers, and coatings, evaluated as a stabilizer or processing aid in adhesive systems and paints, may appear as a component in cleaning formulations as a solvent or base, and can serve as a precursor to specialty chemicals depending on its structure and applicable regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1031.25
methanol	920.87
isopropanol	575.28
water	1.51
ethyl acetate	972.34
n-propanol	667.14
acetone	519.17
n-butanol	427.29
acetonitrile	669.12
DMF	419.12
toluene	128.18
isobutanol	308.15
1,4-dioxane	1338.91
methyl acetate	712.69
THF	836.0
2-butanone	421.61
n-pentanol	247.18
sec-butanol	363.78
n-hexane	6.18
ethylene glycol	409.12
NMP	167.68
cyclohexane	17.68
DMSO	1210.78
n-butyl acetate	195.84
n-octanol	57.87
chloroform	634.65
n-propyl acetate	226.24
acetic acid	655.59
dichloromethane	815.56
cyclohexanone	302.27
propylene glycol	563.52
isopropyl acetate	213.95
DMAc	354.19
2-ethoxyethanol	667.58
isopentanol	224.55
n-heptane	12.82
ethyl formate	309.33
1,2-dichloroethane	582.89
n-hexanol	190.73
2-methoxyethanol	1144.18
isobutyl acetate	112.74
tetrachloromethane	65.89
n-pentyl acetate	71.61
transcutol	1155.33
n-heptanol	61.85
ethylbenzene	43.62
MIBK	134.99
2-propoxyethanol	413.28
tert-butanol	688.77
MTBE	361.19
2-butoxyethanol	150.4
propionic acid	465.52
o-xylene	63.91
formic acid	328.45
diethyl ether	530.96
m-xylene	72.42
p-xylene	46.95
chlorobenzene	139.28
dimethyl carbonate	188.84
n-octane	5.72
formamide	575.55
cyclopentanone	366.65
2-pentanone	310.03
anisole	176.35
cyclopentyl methyl ether	283.33
gamma-butyrolactone	534.04
1-methoxy-2-propanol	611.7
pyridine	461.34
3-pentanone	213.12
furfural	394.58
n-dodecane	5.77
diethylene glycol	487.47
diisopropyl ether	74.02
tert-amyl alcohol	353.67
acetylacetone	339.35
n-hexadecane	6.37
acetophenone	121.66
methyl propionate	505.14
isopentyl acetate	142.78
trichloroethylene	864.1
n-nonanol	53.29
cyclohexanol	218.94
benzyl alcohol	156.7
2-ethylhexanol	88.17
isooctanol	49.47
dipropyl ether	134.27
1,2-dichlorobenzene	105.91
ethyl lactate	116.01
propylene carbonate	231.84
n-methylformamide	427.78
2-pentanol	226.16
n-pentane	9.33
1-propoxy-2-propanol	229.81
1-methoxy-2-propyl acetate	223.87
2-(2-methoxypropoxy) propanol	172.55
mesitylene	41.83
ε-caprolactone	278.73
p-cymene	34.3
epichlorohydrin	825.41
1,1,1-trichloroethane	350.64
2-aminoethanol	591.83
morpholine-4-carbaldehyde	465.13
sulfolane	467.67
2,2,4-trimethylpentane	10.04
2-methyltetrahydrofuran	518.58
n-hexyl acetate	99.19
isooctane	8.39
2-(2-butoxyethoxy)ethanol	241.62
sec-butyl acetate	118.18
tert-butyl acetate	196.53
decalin	11.47
glycerin	572.27
diglyme	482.84
acrylic acid	338.28
isopropyl myristate	47.59
n-butyric acid	467.46
acetyl acetate	285.61
di(2-ethylhexyl) phthalate	49.03
ethyl propionate	188.27
nitromethane	1032.94
1,2-diethoxyethane	305.91
benzonitrile	133.81
trioctyl phosphate	36.08
1-bromopropane	245.16
gamma-valerolactone	495.37
n-decanol	42.64
triethyl phosphate	72.53
4-methyl-2-pentanol	86.77
propionitrile	373.53
vinylene carbonate	219.54
1,1,2-trichlorotrifluoroethane	511.28
DMS	133.27
cumene	31.81
2-octanol	37.74
2-hexanone	148.28
octyl acetate	57.57
limonene	53.43
1,2-dimethoxyethane	632.53
ethyl orthosilicate	74.55
tributyl phosphate	47.82
diacetone alcohol	254.59
N,N-dimethylaniline	88.69
acrylonitrile	415.57
aniline	238.19
1,3-propanediol	697.9
bromobenzene	134.87
dibromomethane	432.23
1,1,2,2-tetrachloroethane	585.68
2-methyl-cyclohexyl acetate	91.37
tetrabutyl urea	60.44
diisobutyl methanol	55.59
2-phenylethanol	126.65
styrene	64.97
dioctyl adipate	75.16
dimethyl sulfate	231.55
ethyl butyrate	153.47
methyl lactate	203.73
butyl lactate	71.75
diethyl carbonate	115.8
propanediol butyl ether	140.93
triethyl orthoformate	105.84
p-tert-butyltoluene	34.42
methyl 4-tert-butylbenzoate	103.22
morpholine	1344.06
tert-butylamine	291.38
n-dodecanol	35.72
dimethoxymethane	585.08
ethylene carbonate	200.85
cyrene	143.29
2-ethoxyethyl acetate	171.26
2-ethylhexyl acetate	105.23
1,2,4-trichlorobenzene	142.96
4-methylpyridine	274.82
dibutyl ether	84.88
2,6-dimethyl-4-heptanol	55.59
DEF	299.16
dimethyl isosorbide	235.81
tetrachloroethylene	336.9
eugenol	113.01
triacetin	140.84
span 80	120.24
1,4-butanediol	230.99
1,1-dichloroethane	489.97
2-methyl-1-pentanol	148.56
methyl formate	338.78
2-methyl-1-butanol	214.55
n-decane	8.56
butyronitrile	281.01
3,7-dimethyl-1-octanol	63.13
1-chlorooctane	37.71
1-chlorotetradecane	17.79
n-nonane	7.96
undecane	6.76
tert-butylcyclohexane	12.02
cyclooctane	7.85
cyclopentanol	237.73
tetrahydropyran	720.33
tert-amyl methyl ether	186.68
2,5,8-trioxanonane	328.73
1-hexene	44.33
2-isopropoxyethanol	331.54
2,2,2-trifluoroethanol	181.43
methyl butyrate	218.94

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