Molecular formula
C22H42O2

SMILES
CCCCCCCCCCCCCCCC(=O)OCC/C=C/CC

Fragrance
Fatty	72.21%
Oily	66.48%
Waxy	63.02%
Fruity	54.33%
Floral	35.98%
Cognac	32.34%
Winey	32.09%
Rose	31.58%
Sweet	29.45%
Citrus	28.13%

 

Flavor
Waxy	65.11%
Oily	43.64%
Fatty	41.83%
Soapy	38.54%
Fruity	36.02%
Mild	33.82%
Sweet	29.56%
Creamy	29.54%
Floral	29.39%
Clean	27.71%

 

Odor impact est.
Low

XLogP3-AA
9.2

pKa est.
7.33 (neutral)

Molecular weight
338.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
391°C

Flash point

• 176.77 ˚C est.

• hex-3-enyl hexadecanoate
• [(E)-hex-3-enyl] hexadecanoate
• SCHEMBL8664799
• SCHEMBL22833037

[(E)-hex-3-enyl] hexadecanoate is used in perfumery and cosmetics as a fragrance ingredient and emollient; in polymers and coatings formulations it can act as a plasticizer or processing aid to improve flexibility and handling; it may also appear in household products as a fragrance component and softening agent; and it can serve as a processing aid in coatings and inks to enhance texture and compatibility.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	85.0
methanol	75.69
isopropanol	133.73
water	0.03
ethyl acetate	905.98
n-propanol	145.26
acetone	527.97
n-butanol	209.06
acetonitrile	181.75
DMF	637.46
toluene	373.26
isobutanol	173.54
1,4-dioxane	713.98
methyl acetate	464.72
THF	1657.14
2-butanone	694.69
n-pentanol	155.66
sec-butanol	219.16
n-hexane	137.3
ethylene glycol	5.37
NMP	1541.2
cyclohexane	698.79
DMSO	731.64
n-butyl acetate	935.51
n-octanol	192.68
chloroform	1832.24
n-propyl acetate	1000.84
acetic acid	169.09
dichloromethane	2119.62
cyclohexanone	2066.18
propylene glycol	20.19
isopropyl acetate	864.87
DMAc	1268.39
2-ethoxyethanol	272.75
isopentanol	289.22
n-heptane	133.65
ethyl formate	281.8
1,2-dichloroethane	1600.43
n-hexanol	164.57
2-methoxyethanol	258.25
isobutyl acetate	649.62
tetrachloromethane	511.84
n-pentyl acetate	1181.51
transcutol	1676.11
n-heptanol	166.66
ethylbenzene	277.43
MIBK	815.53
2-propoxyethanol	321.14
tert-butanol	305.18
MTBE	684.72
2-butoxyethanol	387.8
propionic acid	200.63
o-xylene	352.49
formic acid	24.71
diethyl ether	642.08
m-xylene	299.5
p-xylene	417.36
chlorobenzene	647.69
dimethyl carbonate	169.23
n-octane	60.57
formamide	63.92
cyclopentanone	1747.86
2-pentanone	887.2
anisole	518.08
cyclopentyl methyl ether	1252.57
gamma-butyrolactone	1458.59
1-methoxy-2-propanol	329.65
pyridine	853.29
3-pentanone	736.06
furfural	892.08
n-dodecane	30.66
diethylene glycol	96.45
diisopropyl ether	348.11
tert-amyl alcohol	382.24
acetylacetone	981.63
n-hexadecane	39.08
acetophenone	634.49
methyl propionate	569.21
isopentyl acetate	907.46
trichloroethylene	2294.49
n-nonanol	198.4
cyclohexanol	580.72
benzyl alcohol	236.88
2-ethylhexanol	240.22
isooctanol	196.27
dipropyl ether	647.51
1,2-dichlorobenzene	817.97
ethyl lactate	236.34
propylene carbonate	827.38
n-methylformamide	183.35
2-pentanol	227.62
n-pentane	93.77
1-propoxy-2-propanol	409.88
1-methoxy-2-propyl acetate	751.82
2-(2-methoxypropoxy) propanol	367.37
mesitylene	258.92
ε-caprolactone	1665.57
p-cymene	222.01
epichlorohydrin	1632.04
1,1,1-trichloroethane	1795.52
2-aminoethanol	28.66
morpholine-4-carbaldehyde	991.91
sulfolane	2151.46
2,2,4-trimethylpentane	93.17
2-methyltetrahydrofuran	1535.5
n-hexyl acetate	1046.2
isooctane	53.05
2-(2-butoxyethoxy)ethanol	505.78
sec-butyl acetate	804.4
tert-butyl acetate	1096.69
decalin	202.25
glycerin	34.63
diglyme	1301.95
acrylic acid	123.32
isopropyl myristate	345.87
n-butyric acid	580.42
acetyl acetate	517.16
di(2-ethylhexyl) phthalate	224.95
ethyl propionate	831.93
nitromethane	481.33
1,2-diethoxyethane	1000.85
benzonitrile	386.13
trioctyl phosphate	177.57
1-bromopropane	985.05
gamma-valerolactone	1919.37
n-decanol	127.38
triethyl phosphate	390.83
4-methyl-2-pentanol	180.81
propionitrile	264.88
vinylene carbonate	587.13
1,1,2-trichlorotrifluoroethane	782.68
DMS	499.91
cumene	205.61
2-octanol	185.97
2-hexanone	780.98
octyl acetate	400.53
limonene	482.42
1,2-dimethoxyethane	951.41
ethyl orthosilicate	405.02
tributyl phosphate	262.14
diacetone alcohol	682.76
N,N-dimethylaniline	377.14
acrylonitrile	233.46
aniline	304.68
1,3-propanediol	79.61
bromobenzene	840.07
dibromomethane	1424.62
1,1,2,2-tetrachloroethane	2299.66
2-methyl-cyclohexyl acetate	696.2
tetrabutyl urea	404.69
diisobutyl methanol	207.76
2-phenylethanol	226.95
styrene	334.39
dioctyl adipate	513.45
dimethyl sulfate	387.33
ethyl butyrate	926.8
methyl lactate	167.41
butyl lactate	524.8
diethyl carbonate	454.28
propanediol butyl ether	278.47
triethyl orthoformate	656.39
p-tert-butyltoluene	201.03
methyl 4-tert-butylbenzoate	642.18
morpholine	983.71
tert-butylamine	240.97
n-dodecanol	92.1
dimethoxymethane	471.55
ethylene carbonate	594.43
cyrene	395.56
2-ethoxyethyl acetate	1068.93
2-ethylhexyl acetate	833.93
1,2,4-trichlorobenzene	899.2
4-methylpyridine	912.26
dibutyl ether	787.15
2,6-dimethyl-4-heptanol	207.76
DEF	1143.59
dimethyl isosorbide	927.15
tetrachloroethylene	1446.23
eugenol	411.44
triacetin	910.6
span 80	387.77
1,4-butanediol	34.75
1,1-dichloroethane	1338.21
2-methyl-1-pentanol	227.23
methyl formate	130.63
2-methyl-1-butanol	262.79
n-decane	74.63
butyronitrile	378.27
3,7-dimethyl-1-octanol	237.28
1-chlorooctane	341.56
1-chlorotetradecane	102.06
n-nonane	76.17
undecane	44.24
tert-butylcyclohexane	131.02
cyclooctane	166.55
cyclopentanol	461.1
tetrahydropyran	1459.7
tert-amyl methyl ether	687.47
2,5,8-trioxanonane	686.82
1-hexene	286.24
2-isopropoxyethanol	289.3
2,2,2-trifluoroethanol	87.63
methyl butyrate	1124.14

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