Molecular formula
C14H18O3

SMILES
CCCCC=COC(=O)C1=CC=C(C=C1)OC

Fragrance
Green	91.49%
Floral	69.5%
Fruity	63.26%
Herbal	58.49%
Woody	49.57%
Balsamic	48.64%
Sweet	47.66%
Fresh	39.37%
Leafy	37.91%
Cortex	33.03%

 

Flavor
Balsam	43.5%
Herbal	39.33%
Floral	39.15%
Green	35.66%
Oily	33.05%
Woody	32.2%
Spicy	30.32%
Fruity	29.97%
Waxy	28.73%
Fresh	27.67%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
7.01 (neutral)

Molecular weight
234.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
338°C

Flash point

• 145.54 ˚C est.

Hex-1-enyl 4-methoxybenzoate is primarily used as a fragrance ingredient and a scent fixative in perfumery, helping to extend the aroma in fragrance blends. It is commonly evaluated for inclusion in cosmetics and personal care products (creams, shampoos, and lotions) as a fragrance component. In household products, it may be used as a fragrance additive in air fresheners, laundry formulations, and surface cleaners. It is also used in coatings and inks as a fragrance additive to impart a fresh note to coatings and printing applications. Additionally, it can serve as an intermediate in organic synthesis for related anisate esters employed in aroma-chemical development. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	496.54
methanol	663.3
isopropanol	215.19
water	0.05
ethyl acetate	1521.2
n-propanol	401.39
acetone	1508.32
n-butanol	350.83
acetonitrile	1050.17
DMF	1824.34
toluene	883.41
isobutanol	241.15
1,4-dioxane	880.79
methyl acetate	1005.25
THF	1305.21
2-butanone	1264.84
n-pentanol	239.22
sec-butanol	298.31
n-hexane	24.79
ethylene glycol	69.22
NMP	1746.82
cyclohexane	54.25
DMSO	2759.64
n-butyl acetate	539.36
n-octanol	48.72
chloroform	3386.34
n-propyl acetate	556.17
acetic acid	684.84
dichloromethane	4545.62
cyclohexanone	1471.3
propylene glycol	126.96
isopropyl acetate	615.36
DMAc	1533.73
2-ethoxyethanol	545.57
isopentanol	296.93
n-heptane	8.51
ethyl formate	402.73
1,2-dichloroethane	3762.77
n-hexanol	178.66
2-methoxyethanol	967.89
isobutyl acetate	280.08
tetrachloromethane	201.87
n-pentyl acetate	217.81
transcutol	2836.73
n-heptanol	61.57
ethylbenzene	225.03
MIBK	476.24
2-propoxyethanol	460.93
tert-butanol	341.14
MTBE	531.57
2-butoxyethanol	201.45
propionic acid	451.41
o-xylene	316.39
formic acid	231.15
diethyl ether	1019.46
m-xylene	357.59
p-xylene	239.51
chlorobenzene	1122.0
dimethyl carbonate	509.91
n-octane	3.49
formamide	714.88
cyclopentanone	1808.9
2-pentanone	1061.22
anisole	594.82
cyclopentyl methyl ether	911.09
gamma-butyrolactone	1862.81
1-methoxy-2-propanol	673.06
pyridine	1762.85
3-pentanone	923.55
furfural	1410.45
n-dodecane	3.54
diethylene glycol	358.05
diisopropyl ether	171.85
tert-amyl alcohol	366.04
acetylacetone	1287.69
n-hexadecane	4.44
acetophenone	582.08
methyl propionate	1201.6
isopentyl acetate	438.03
trichloroethylene	5974.02
n-nonanol	50.29
cyclohexanol	404.08
benzyl alcohol	416.1
2-ethylhexanol	111.68
isooctanol	58.62
dipropyl ether	174.87
1,2-dichlorobenzene	877.39
ethyl lactate	203.5
propylene carbonate	764.43
n-methylformamide	881.5
2-pentanol	241.4
n-pentane	21.98
1-propoxy-2-propanol	292.91
1-methoxy-2-propyl acetate	585.87
2-(2-methoxypropoxy) propanol	326.06
mesitylene	163.63
ε-caprolactone	1102.04
p-cymene	85.16
epichlorohydrin	2983.69
1,1,1-trichloroethane	1669.53
2-aminoethanol	198.49
morpholine-4-carbaldehyde	1187.06
sulfolane	2184.65
2,2,4-trimethylpentane	20.7
2-methyltetrahydrofuran	1022.32
n-hexyl acetate	273.08
isooctane	14.74
2-(2-butoxyethoxy)ethanol	461.85
sec-butyl acetate	376.81
tert-butyl acetate	612.69
decalin	34.58
glycerin	209.6
diglyme	957.74
acrylic acid	478.59
isopropyl myristate	99.12
n-butyric acid	623.93
acetyl acetate	764.38
di(2-ethylhexyl) phthalate	108.48
ethyl propionate	523.03
nitromethane	2211.13
1,2-diethoxyethane	721.71
benzonitrile	594.19
trioctyl phosphate	64.21
1-bromopropane	1268.58
gamma-valerolactone	1584.41
n-decanol	37.63
triethyl phosphate	167.13
4-methyl-2-pentanol	125.12
propionitrile	627.16
vinylene carbonate	690.27
1,1,2-trichlorotrifluoroethane	1389.37
DMS	476.67
cumene	108.67
2-octanol	39.25
2-hexanone	502.32
octyl acetate	123.63
limonene	129.66
1,2-dimethoxyethane	800.99
ethyl orthosilicate	154.82
tributyl phosphate	112.47
diacetone alcohol	573.33
N,N-dimethylaniline	301.42
acrylonitrile	995.93
aniline	872.65
1,3-propanediol	318.79
bromobenzene	1400.09
dibromomethane	2681.67
1,1,2,2-tetrachloroethane	4084.25
2-methyl-cyclohexyl acetate	253.85
tetrabutyl urea	144.24
diisobutyl methanol	71.82
2-phenylethanol	298.47
styrene	386.82
dioctyl adipate	188.09
dimethyl sulfate	865.2
ethyl butyrate	363.54
methyl lactate	340.37
butyl lactate	182.5
diethyl carbonate	264.38
propanediol butyl ether	204.99
triethyl orthoformate	218.53
p-tert-butyltoluene	79.16
methyl 4-tert-butylbenzoate	258.83
morpholine	1327.36
tert-butylamine	187.6
n-dodecanol	28.51
dimethoxymethane	1235.44
ethylene carbonate	546.34
cyrene	317.96
2-ethoxyethyl acetate	493.37
2-ethylhexyl acetate	344.22
1,2,4-trichlorobenzene	1100.2
4-methylpyridine	1653.77
dibutyl ether	141.34
2,6-dimethyl-4-heptanol	71.82
DEF	1395.38
dimethyl isosorbide	578.55
tetrachloroethylene	1984.01
eugenol	253.27
triacetin	351.66
span 80	225.88
1,4-butanediol	110.21
1,1-dichloroethane	2330.67
2-methyl-1-pentanol	266.71
methyl formate	557.35
2-methyl-1-butanol	320.59
n-decane	5.59
butyronitrile	514.98
3,7-dimethyl-1-octanol	85.12
1-chlorooctane	52.0
1-chlorotetradecane	20.11
n-nonane	4.93
undecane	4.28
tert-butylcyclohexane	26.49
cyclooctane	15.39
cyclopentanol	314.13
tetrahydropyran	1015.41
tert-amyl methyl ether	438.06
2,5,8-trioxanonane	603.78
1-hexene	154.41
2-isopropoxyethanol	364.99
2,2,2-trifluoroethanol	222.18
methyl butyrate	654.59

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