Molecular formula
C13H18O3

SMILES
CCCC(=O)OCCCOC1=CC=CC=C1

Fragrance
Fruity	90.01%
Floral	70.72%
Sweet	66.33%
Rose	46.05%
Balsamic	44.35%
Spicy	38.67%
Apple	38.1%
Herbal	36.04%
Jasmin	36.01%
Honey	35.83%

 

Flavor
Fruity	80.67%
Sweet	50.02%
Floral	48.39%
Pineapple	47.94%
Balsam	46.4%
Rose	42.52%
Apricot	40.49%
Apple	37.95%
Fruit	37.77%
Berry	37.06%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
7.02 (neutral)

Molecular weight
222.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
294°C

Flash point

• 127.07 ˚C est.

• NSC71490
• NCIOpen2_003390
• NSC-71490

3-Phenoxypropyl butanoate is an ester primarily used in fragrance and cosmetics as a fragrance ingredient or fixative, helping to sustain aroma in perfumes, personal care products, and consumer household formulations. It is also considered an intermediate for the synthesis of other aroma compounds and may function as a solvent or processing aid in coatings, inks, and polymer formulations. Additionally, it can be used as a mild solvent in household product formulations, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	977.75
methanol	1418.93
isopropanol	626.68
water	1.08
ethyl acetate	1474.95
n-propanol	650.22
acetone	2851.05
n-butanol	600.38
acetonitrile	2352.23
DMF	1837.89
toluene	419.27
isobutanol	502.53
1,4-dioxane	1462.55
methyl acetate	1206.04
THF	1836.32
2-butanone	1434.16
n-pentanol	502.47
sec-butanol	562.39
n-hexane	79.15
ethylene glycol	180.97
NMP	1490.84
cyclohexane	130.48
DMSO	3872.32
n-butyl acetate	825.63
n-octanol	259.44
chloroform	4428.05
n-propyl acetate	967.54
acetic acid	1921.54
dichloromethane	6127.46
cyclohexanone	1868.51
propylene glycol	219.97
isopropyl acetate	663.47
DMAc	1517.39
2-ethoxyethanol	805.8
isopentanol	496.73
n-heptane	44.7
ethyl formate	881.22
1,2-dichloroethane	3177.19
n-hexanol	342.85
2-methoxyethanol	1116.38
isobutyl acetate	475.47
tetrachloromethane	325.92
n-pentyl acetate	458.13
transcutol	2935.98
n-heptanol	164.33
ethylbenzene	274.91
MIBK	554.79
2-propoxyethanol	608.51
tert-butanol	731.65
MTBE	674.89
2-butoxyethanol	373.62
propionic acid	911.05
o-xylene	267.58
formic acid	448.53
diethyl ether	1041.26
m-xylene	273.35
p-xylene	364.0
chlorobenzene	952.88
dimethyl carbonate	474.99
n-octane	24.56
formamide	839.95
cyclopentanone	1918.03
2-pentanone	1177.73
anisole	616.03
cyclopentyl methyl ether	771.89
gamma-butyrolactone	2219.85
1-methoxy-2-propanol	750.62
pyridine	1452.67
3-pentanone	827.29
furfural	1635.78
n-dodecane	25.32
diethylene glycol	486.32
diisopropyl ether	205.89
tert-amyl alcohol	597.84
acetylacetone	1387.54
n-hexadecane	29.51
acetophenone	662.06
methyl propionate	933.4
isopentyl acetate	585.79
trichloroethylene	5045.27
n-nonanol	220.2
cyclohexanol	635.34
benzyl alcohol	485.63
2-ethylhexanol	235.58
isooctanol	155.81
dipropyl ether	413.6
1,2-dichlorobenzene	892.4
ethyl lactate	352.23
propylene carbonate	1136.72
n-methylformamide	1065.09
2-pentanol	401.78
n-pentane	50.79
1-propoxy-2-propanol	472.44
1-methoxy-2-propyl acetate	583.46
2-(2-methoxypropoxy) propanol	454.46
mesitylene	174.43
ε-caprolactone	1306.93
p-cymene	148.16
epichlorohydrin	2555.04
1,1,1-trichloroethane	1739.84
2-aminoethanol	337.72
morpholine-4-carbaldehyde	1307.1
sulfolane	2560.7
2,2,4-trimethylpentane	38.48
2-methyltetrahydrofuran	1182.36
n-hexyl acetate	711.56
isooctane	25.87
2-(2-butoxyethoxy)ethanol	659.78
sec-butyl acetate	495.02
tert-butyl acetate	614.25
decalin	73.55
glycerin	321.47
diglyme	1311.51
acrylic acid	832.89
isopropyl myristate	237.52
n-butyric acid	1210.49
acetyl acetate	933.01
di(2-ethylhexyl) phthalate	216.01
ethyl propionate	736.96
nitromethane	3685.97
1,2-diethoxyethane	889.71
benzonitrile	808.7
trioctyl phosphate	151.19
1-bromopropane	1300.85
gamma-valerolactone	1901.84
n-decanol	156.72
triethyl phosphate	272.06
4-methyl-2-pentanol	194.56
propionitrile	1113.24
vinylene carbonate	1101.29
1,1,2-trichlorotrifluoroethane	1384.02
DMS	605.72
cumene	175.49
2-octanol	147.18
2-hexanone	819.28
octyl acetate	311.01
limonene	222.25
1,2-dimethoxyethane	1480.53
ethyl orthosilicate	241.85
tributyl phosphate	240.64
diacetone alcohol	601.38
N,N-dimethylaniline	379.4
acrylonitrile	1444.34
aniline	555.56
1,3-propanediol	503.79
bromobenzene	1129.95
dibromomethane	3537.18
1,1,2,2-tetrachloroethane	3472.6
2-methyl-cyclohexyl acetate	400.71
tetrabutyl urea	300.93
diisobutyl methanol	142.14
2-phenylethanol	340.16
styrene	409.09
dioctyl adipate	387.23
dimethyl sulfate	794.21
ethyl butyrate	626.62
methyl lactate	411.15
butyl lactate	366.65
diethyl carbonate	473.32
propanediol butyl ether	444.33
triethyl orthoformate	364.53
p-tert-butyltoluene	129.15
methyl 4-tert-butylbenzoate	454.77
morpholine	1504.1
tert-butylamine	422.54
n-dodecanol	121.17
dimethoxymethane	1073.88
ethylene carbonate	899.85
cyrene	434.09
2-ethoxyethyl acetate	637.99
2-ethylhexyl acetate	439.01
1,2,4-trichlorobenzene	929.43
4-methylpyridine	1307.28
dibutyl ether	469.76
2,6-dimethyl-4-heptanol	142.14
DEF	1205.39
dimethyl isosorbide	691.0
tetrachloroethylene	2015.39
eugenol	424.36
triacetin	722.39
span 80	388.03
1,4-butanediol	276.23
1,1-dichloroethane	2384.28
2-methyl-1-pentanol	416.83
methyl formate	939.08
2-methyl-1-butanol	484.39
n-decane	43.23
butyronitrile	1083.79
3,7-dimethyl-1-octanol	234.58
1-chlorooctane	234.33
1-chlorotetradecane	85.59
n-nonane	42.78
undecane	31.45
tert-butylcyclohexane	60.25
cyclooctane	35.15
cyclopentanol	647.54
tetrahydropyran	1364.64
tert-amyl methyl ether	448.86
2,5,8-trioxanonane	822.2
1-hexene	370.81
2-isopropoxyethanol	523.47
2,2,2-trifluoroethanol	533.02
methyl butyrate	1100.39

Scent© AI