Molecular formula
C11H10O2

SMILES
CCC1=C2C=CC(=O)OC2=CC=C1

Fragrance
Sweet	70.81%
Coconut	48.24%
Coumarinic	47.75%
Phenolic	38.18%
Nutty	37.73%
Tobacco	37.33%
Animal	36.39%
Creamy	36.32%
Powdery	35.37%
Hay	35.0%

 

Flavor
Sweet	48.49%
Bitter	47.17%
Tonka	40.22%
Green	39.04%
Herbal	32.57%
Almond	31.0%
Balsam	30.09%
Woody	29.42%
Coconut	29.36%
Tobacco	26.86%

 

Odor impact est.
Medium

XLogP3-AA
2.7

pKa est.
6.42 (neutral)

Molecular weight
174.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
302°C

Flash point

• 129.66 ˚C est.

• 5-Ethylcumarine
• SCHEMBL6560665

5-Ethylcumarine is primarily used as a fragrance ingredient and odorant in perfumery and personal care products, and it also serves as an intermediate in organic synthesis to prepare other coumarin derivatives and specialty chemicals. It may be evaluated as a flavor precursor in aroma formulations for the food sector; in research and development, coumarin derivatives are known for fluorescence, so 5-Ethylcumarine may be explored as a fluorescent marker or an additive for polymer materials, coatings, and inks, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	66.13
methanol	96.03
isopropanol	34.64
water	0.12
ethyl acetate	227.43
n-propanol	53.89
acetone	460.98
n-butanol	43.86
acetonitrile	211.45
DMF	1224.03
toluene	172.88
isobutanol	35.96
1,4-dioxane	518.98
methyl acetate	279.29
THF	841.56
2-butanone	360.3
n-pentanol	38.77
sec-butanol	36.05
n-hexane	5.21
ethylene glycol	26.55
NMP	1305.08
cyclohexane	6.82
DMSO	1517.94
n-butyl acetate	195.12
n-octanol	18.42
chloroform	444.45
n-propyl acetate	145.78
acetic acid	106.46
dichloromethane	978.99
cyclohexanone	446.49
propylene glycol	17.77
isopropyl acetate	113.36
DMAc	635.65
2-ethoxyethanol	136.26
isopentanol	46.31
n-heptane	3.73
ethyl formate	137.69
1,2-dichloroethane	844.97
n-hexanol	50.31
2-methoxyethanol	262.09
isobutyl acetate	65.9
tetrachloromethane	43.93
n-pentyl acetate	106.01
transcutol	867.43
n-heptanol	22.6
ethylbenzene	81.85
MIBK	110.72
2-propoxyethanol	183.67
tert-butanol	46.28
MTBE	85.86
2-butoxyethanol	87.98
propionic acid	90.45
o-xylene	96.06
formic acid	63.44
diethyl ether	128.69
m-xylene	96.18
p-xylene	82.01
chlorobenzene	275.43
dimethyl carbonate	196.76
n-octane	1.39
formamide	255.18
cyclopentanone	843.82
2-pentanone	232.52
anisole	250.17
cyclopentyl methyl ether	273.95
gamma-butyrolactone	980.94
1-methoxy-2-propanol	156.79
pyridine	586.93
3-pentanone	223.23
furfural	807.96
n-dodecane	1.05
diethylene glycol	147.53
diisopropyl ether	33.22
tert-amyl alcohol	50.45
acetylacetone	371.78
n-hexadecane	1.32
acetophenone	229.22
methyl propionate	265.96
isopentyl acetate	147.27
trichloroethylene	1578.85
n-nonanol	17.85
cyclohexanol	51.34
benzyl alcohol	125.2
2-ethylhexanol	34.86
isooctanol	19.52
dipropyl ether	61.08
1,2-dichlorobenzene	264.34
ethyl lactate	55.7
propylene carbonate	308.52
n-methylformamide	447.15
2-pentanol	28.9
n-pentane	3.73
1-propoxy-2-propanol	106.96
1-methoxy-2-propyl acetate	221.95
2-(2-methoxypropoxy) propanol	120.77
mesitylene	46.25
ε-caprolactone	381.16
p-cymene	39.37
epichlorohydrin	1448.19
1,1,1-trichloroethane	294.64
2-aminoethanol	44.99
morpholine-4-carbaldehyde	897.35
sulfolane	1402.14
2,2,4-trimethylpentane	3.59
2-methyltetrahydrofuran	450.34
n-hexyl acetate	137.14
isooctane	2.63
2-(2-butoxyethoxy)ethanol	168.12
sec-butyl acetate	83.24
tert-butyl acetate	137.21
decalin	8.49
glycerin	43.33
diglyme	457.22
acrylic acid	115.91
isopropyl myristate	36.52
n-butyric acid	98.32
acetyl acetate	132.88
di(2-ethylhexyl) phthalate	46.63
ethyl propionate	140.02
nitromethane	679.62
1,2-diethoxyethane	210.66
benzonitrile	195.68
trioctyl phosphate	27.82
1-bromopropane	176.6
gamma-valerolactone	1021.33
n-decanol	13.07
triethyl phosphate	58.33
4-methyl-2-pentanol	20.93
propionitrile	124.48
vinylene carbonate	275.15
1,1,2-trichlorotrifluoroethane	380.8
DMS	233.18
cumene	42.71
2-octanol	15.21
2-hexanone	158.61
octyl acetate	51.43
limonene	49.22
1,2-dimethoxyethane	356.74
ethyl orthosilicate	50.63
tributyl phosphate	43.63
diacetone alcohol	150.56
N,N-dimethylaniline	123.68
acrylonitrile	255.91
aniline	176.72
1,3-propanediol	68.0
bromobenzene	312.36
dibromomethane	436.84
1,1,2,2-tetrachloroethane	732.3
2-methyl-cyclohexyl acetate	92.86
tetrabutyl urea	64.24
diisobutyl methanol	21.33
2-phenylethanol	125.9
styrene	109.14
dioctyl adipate	71.03
dimethyl sulfate	446.65
ethyl butyrate	110.43
methyl lactate	95.45
butyl lactate	75.72
diethyl carbonate	77.34
propanediol butyl ether	72.96
triethyl orthoformate	66.24
p-tert-butyltoluene	36.13
methyl 4-tert-butylbenzoate	127.46
morpholine	527.97
tert-butylamine	26.97
n-dodecanol	9.48
dimethoxymethane	514.84
ethylene carbonate	200.49
cyrene	130.03
2-ethoxyethyl acetate	240.72
2-ethylhexyl acetate	126.48
1,2,4-trichlorobenzene	316.39
4-methylpyridine	526.4
dibutyl ether	43.36
2,6-dimethyl-4-heptanol	21.33
DEF	377.89
dimethyl isosorbide	317.08
tetrachloroethylene	418.55
eugenol	137.28
triacetin	149.64
span 80	79.56
1,4-butanediol	25.33
1,1-dichloroethane	329.42
2-methyl-1-pentanol	42.95
methyl formate	336.45
2-methyl-1-butanol	44.76
n-decane	1.82
butyronitrile	92.38
3,7-dimethyl-1-octanol	25.07
1-chlorooctane	18.31
1-chlorotetradecane	6.17
n-nonane	1.69
undecane	1.35
tert-butylcyclohexane	7.12
cyclooctane	2.9
cyclopentanol	82.14
tetrahydropyran	282.23
tert-amyl methyl ether	81.47
2,5,8-trioxanonane	243.65
1-hexene	29.55
2-isopropoxyethanol	85.22
2,2,2-trifluoroethanol	61.23
methyl butyrate	176.8

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