Molecular formula
C16H20OS

SMILES
CCSCC/C=C(\CC(=O)C=C)/C1=CC=CC=C1

Fragrance
Fruity	51.76%
Floral	49.49%
Sweet	48.41%
Spicy	41.53%
Meaty	39.28%
Tropical	32.33%
Citrus	30.28%
Fresh	28.56%
Roasted	28.07%
Woody	26.3%

 

Flavor
Herbal	22.24%
Floral	21.21%
Nitrile	20.24%
Mild	20.2%
Matches	20.07%
Valerian	19.47%
Butyric	19.41%
Cyclamen	19.4%
Oriental	19.4%
Turnup	19.25%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
7.27 (neutral)

Molecular weight
260.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
384°C

Flash point

• 171.27 ˚C est.

• (5E)-8-(ethylsulfanyl)-5-phenylocta-1,5-dien-3-one
• DTXSID401017701

The compound (5E)-8-(ethylsulfanyl)-5-phenylocta-1,5-dien-3-one (CAS number: ) is regarded as an important synthetic intermediate in organic chemistry; in practice, it is commonly used as a building block for derivatives related to fragrance and odorants in the fragrance industry and personal care products; it can also serve as a precursor for functional polymers and specialty plastics; in coatings and inks, it may be employed as a precursor for color systems and surface bonding; in industrial research and development, it is evaluated as a building block for sulfur-containing, polycyclic structures.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	377.92
methanol	260.61
isopropanol	191.82
water	0.02
ethyl acetate	1139.6
n-propanol	297.72
acetone	1274.48
n-butanol	234.41
acetonitrile	450.06
DMF	1230.04
toluene	615.98
isobutanol	166.27
1,4-dioxane	1283.54
methyl acetate	820.31
THF	1339.87
2-butanone	1065.34
n-pentanol	197.84
sec-butanol	205.88
n-hexane	17.38
ethylene glycol	30.4
NMP	770.99
cyclohexane	72.08
DMSO	1237.85
n-butyl acetate	536.67
n-octanol	67.67
chloroform	1898.1
n-propyl acetate	516.31
acetic acid	259.79
dichloromethane	2176.34
cyclohexanone	1379.69
propylene glycol	83.71
isopropyl acetate	516.98
DMAc	1363.95
2-ethoxyethanol	397.97
isopentanol	193.36
n-heptane	15.2
ethyl formate	317.43
1,2-dichloroethane	1765.31
n-hexanol	189.49
2-methoxyethanol	524.19
isobutyl acetate	294.41
tetrachloromethane	112.65
n-pentyl acetate	247.21
transcutol	2244.4
n-heptanol	72.3
ethylbenzene	198.91
MIBK	362.63
2-propoxyethanol	422.61
tert-butanol	203.32
MTBE	374.95
2-butoxyethanol	196.05
propionic acid	248.63
o-xylene	233.88
formic acid	44.63
diethyl ether	784.06
m-xylene	259.63
p-xylene	203.39
chlorobenzene	701.41
dimethyl carbonate	275.31
n-octane	7.45
formamide	126.7
cyclopentanone	1354.26
2-pentanone	801.03
anisole	452.33
cyclopentyl methyl ether	592.01
gamma-butyrolactone	1064.19
1-methoxy-2-propanol	378.64
pyridine	1284.92
3-pentanone	679.6
furfural	850.87
n-dodecane	7.28
diethylene glycol	238.05
diisopropyl ether	136.47
tert-amyl alcohol	186.21
acetylacetone	908.91
n-hexadecane	8.79
acetophenone	427.96
methyl propionate	769.77
isopentyl acetate	412.37
trichloroethylene	2757.28
n-nonanol	69.69
cyclohexanol	274.56
benzyl alcohol	295.12
2-ethylhexanol	127.85
isooctanol	69.26
dipropyl ether	237.65
1,2-dichlorobenzene	554.47
ethyl lactate	154.74
propylene carbonate	569.64
n-methylformamide	344.14
2-pentanol	153.66
n-pentane	14.13
1-propoxy-2-propanol	315.08
1-methoxy-2-propyl acetate	533.46
2-(2-methoxypropoxy) propanol	263.39
mesitylene	127.64
ε-caprolactone	861.99
p-cymene	91.1
epichlorohydrin	1633.28
1,1,1-trichloroethane	974.92
2-aminoethanol	99.49
morpholine-4-carbaldehyde	918.9
sulfolane	1046.28
2,2,4-trimethylpentane	13.18
2-methyltetrahydrofuran	872.26
n-hexyl acetate	294.86
isooctane	11.14
2-(2-butoxyethoxy)ethanol	390.89
sec-butyl acetate	344.24
tert-butyl acetate	434.01
decalin	35.23
glycerin	102.03
diglyme	849.34
acrylic acid	187.07
isopropyl myristate	116.6
n-butyric acid	400.73
acetyl acetate	485.68
di(2-ethylhexyl) phthalate	113.12
ethyl propionate	415.96
nitromethane	756.96
1,2-diethoxyethane	751.4
benzonitrile	416.88
trioctyl phosphate	67.98
1-bromopropane	690.66
gamma-valerolactone	1417.98
n-decanol	53.5
triethyl phosphate	149.15
4-methyl-2-pentanol	91.67
propionitrile	339.01
vinylene carbonate	511.92
1,1,2-trichlorotrifluoroethane	656.86
DMS	378.07
cumene	101.26
2-octanol	51.05
2-hexanone	450.04
octyl acetate	134.85
limonene	142.4
1,2-dimethoxyethane	728.12
ethyl orthosilicate	139.2
tributyl phosphate	103.07
diacetone alcohol	351.63
N,N-dimethylaniline	236.89
acrylonitrile	401.04
aniline	422.05
1,3-propanediol	170.35
bromobenzene	795.73
dibromomethane	1262.84
1,1,2,2-tetrachloroethane	1945.43
2-methyl-cyclohexyl acetate	248.38
tetrabutyl urea	144.98
diisobutyl methanol	78.34
2-phenylethanol	259.52
styrene	313.16
dioctyl adipate	186.3
dimethyl sulfate	380.38
ethyl butyrate	369.08
methyl lactate	189.95
butyl lactate	183.48
diethyl carbonate	236.64
propanediol butyl ether	183.69
triethyl orthoformate	228.14
p-tert-butyltoluene	85.48
methyl 4-tert-butylbenzoate	236.91
morpholine	1380.31
tert-butylamine	104.83
n-dodecanol	43.31
dimethoxymethane	823.66
ethylene carbonate	436.58
cyrene	249.25
2-ethoxyethyl acetate	469.5
2-ethylhexyl acetate	342.37
1,2,4-trichlorobenzene	657.97
4-methylpyridine	1127.66
dibutyl ether	205.66
2,6-dimethyl-4-heptanol	78.34
DEF	892.85
dimethyl isosorbide	471.15
tetrachloroethylene	1050.78
eugenol	230.04
triacetin	338.0
span 80	201.2
1,4-butanediol	73.44
1,1-dichloroethane	1234.06
2-methyl-1-pentanol	180.19
methyl formate	273.71
2-methyl-1-butanol	183.84
n-decane	11.89
butyronitrile	371.3
3,7-dimethyl-1-octanol	93.21
1-chlorooctane	77.92
1-chlorotetradecane	32.29
n-nonane	10.34
undecane	8.96
tert-butylcyclohexane	26.47
cyclooctane	16.65
cyclopentanol	220.11
tetrahydropyran	1321.8
tert-amyl methyl ether	259.82
2,5,8-trioxanonane	515.81
1-hexene	134.9
2-isopropoxyethanol	265.47
2,2,2-trifluoroethanol	72.99
methyl butyrate	551.56

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