Molecular formula
C31H54O2

SMILES
CCCCCC/C=C/CCCCCCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

Fragrance
Floral	72.88%
Waxy	60.58%
Green	52.16%
Rose	51.95%
Oily	50.06%
Balsamic	44.64%
Sweet	41.43%
Fruity	37.49%
Woody	34.05%
Fatty	33.52%

 

Flavor
Waxy	36.56%
Floral	31.78%
Balsam	28.95%
Oily	26.59%
Mild	25.91%
Fruity	25.41%
Diterpene	22.87%
Low	22.71%
Wax	22.32%
Faint	22.32%

 

Odor impact est.
Low

XLogP3-AA
11.7

pKa est.
8.49 (weak base)

Molecular weight
458.8 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
475°C

Flash point

• 214.68 ˚C est.

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] (E)-hexadec-9-enoate is typically used in fragrance chemistry as a fragrance ingredient and fixative to extend aroma longevity in perfumery and scented cosmetics. It may serve as a niche aroma component in specialty consumer products and as a formulation aid in industrial manufacturing. Owing to its lipophilic, unsaturated ester structure, it can act as a plasticizer or stabilizer in certain polymers and coatings, and may be employed in household products, inks, and coatings to impart specific scent profiles. Some evaluations in the literature consider terpenoid esters like this compound as fragrance carriers or release agents for coatings and plastics, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	15.26
methanol	13.69
isopropanol	10.42
water	0.01
ethyl acetate	94.19
n-propanol	20.91
acetone	40.52
n-butanol	29.5
acetonitrile	9.98
DMF	37.96
toluene	65.71
isobutanol	17.62
1,4-dioxane	108.35
methyl acetate	43.39
THF	282.31
2-butanone	85.89
n-pentanol	34.06
sec-butanol	28.31
n-hexane	21.8
ethylene glycol	0.36
NMP	158.03
cyclohexane	49.65
DMSO	49.16
n-butyl acetate	107.1
n-octanol	32.65
chloroform	302.72
n-propyl acetate	113.77
acetic acid	21.7
dichloromethane	314.33
cyclohexanone	243.5
propylene glycol	1.84
isopropyl acetate	90.67
DMAc	168.2
2-ethoxyethanol	50.18
isopentanol	37.88
n-heptane	16.14
ethyl formate	28.66
1,2-dichloroethane	175.92
n-hexanol	28.49
2-methoxyethanol	33.15
isobutyl acetate	80.79
tetrachloromethane	53.68
n-pentyl acetate	165.92
transcutol	456.29
n-heptanol	33.06
ethylbenzene	58.49
MIBK	85.9
2-propoxyethanol	57.1
tert-butanol	23.4
MTBE	88.59
2-butoxyethanol	85.01
propionic acid	20.4
o-xylene	52.12
formic acid	3.66
diethyl ether	86.05
m-xylene	46.57
p-xylene	66.29
chlorobenzene	88.53
dimethyl carbonate	15.93
n-octane	7.43
formamide	6.89
cyclopentanone	164.17
2-pentanone	96.62
anisole	107.2
cyclopentyl methyl ether	163.05
gamma-butyrolactone	133.07
1-methoxy-2-propanol	41.37
pyridine	114.45
3-pentanone	88.24
furfural	99.29
n-dodecane	3.67
diethylene glycol	11.18
diisopropyl ether	38.1
tert-amyl alcohol	51.87
acetylacetone	101.32
n-hexadecane	4.48
acetophenone	114.87
methyl propionate	57.68
isopentyl acetate	121.46
trichloroethylene	301.22
n-nonanol	39.19
cyclohexanol	53.86
benzyl alcohol	41.54
2-ethylhexanol	41.4
isooctanol	41.2
dipropyl ether	96.85
1,2-dichlorobenzene	109.24
ethyl lactate	27.61
propylene carbonate	83.28
n-methylformamide	12.57
2-pentanol	25.63
n-pentane	11.22
1-propoxy-2-propanol	68.19
1-methoxy-2-propyl acetate	113.62
2-(2-methoxypropoxy) propanol	103.87
mesitylene	34.26
ε-caprolactone	242.64
p-cymene	37.71
epichlorohydrin	228.07
1,1,1-trichloroethane	186.84
2-aminoethanol	2.94
morpholine-4-carbaldehyde	115.51
sulfolane	188.93
2,2,4-trimethylpentane	14.98
2-methyltetrahydrofuran	242.45
n-hexyl acetate	160.56
isooctane	6.76
2-(2-butoxyethoxy)ethanol	131.58
sec-butyl acetate	117.42
tert-butyl acetate	143.12
decalin	29.34
glycerin	3.28
diglyme	339.77
acrylic acid	11.82
isopropyl myristate	52.72
n-butyric acid	66.23
acetyl acetate	52.94
di(2-ethylhexyl) phthalate	42.94
ethyl propionate	105.01
nitromethane	39.88
1,2-diethoxyethane	203.01
benzonitrile	41.41
trioctyl phosphate	26.52
1-bromopropane	136.27
gamma-valerolactone	241.72
n-decanol	23.4
triethyl phosphate	63.88
4-methyl-2-pentanol	24.0
propionitrile	19.71
vinylene carbonate	62.16
1,1,2-trichlorotrifluoroethane	97.56
DMS	52.96
cumene	42.38
2-octanol	29.23
2-hexanone	120.2
octyl acetate	60.91
limonene	67.47
1,2-dimethoxyethane	157.51
ethyl orthosilicate	79.9
tributyl phosphate	34.5
diacetone alcohol	92.94
N,N-dimethylaniline	84.06
acrylonitrile	15.24
aniline	41.17
1,3-propanediol	8.97
bromobenzene	114.82
dibromomethane	198.61
1,1,2,2-tetrachloroethane	296.27
2-methyl-cyclohexyl acetate	131.76
tetrabutyl urea	59.47
diisobutyl methanol	32.44
2-phenylethanol	43.4
styrene	60.09
dioctyl adipate	92.41
dimethyl sulfate	33.18
ethyl butyrate	133.12
methyl lactate	16.44
butyl lactate	76.61
diethyl carbonate	61.72
propanediol butyl ether	43.06
triethyl orthoformate	121.87
p-tert-butyltoluene	34.17
methyl 4-tert-butylbenzoate	125.82
morpholine	138.93
tert-butylamine	20.08
n-dodecanol	15.28
dimethoxymethane	53.3
ethylene carbonate	58.71
cyrene	86.28
2-ethoxyethyl acetate	186.45
2-ethylhexyl acetate	116.87
1,2,4-trichlorobenzene	132.65
4-methylpyridine	121.94
dibutyl ether	115.99
2,6-dimethyl-4-heptanol	32.44
DEF	116.11
dimethyl isosorbide	235.34
tetrachloroethylene	169.64
eugenol	87.26
triacetin	134.91
span 80	89.45
1,4-butanediol	4.13
1,1-dichloroethane	128.8
2-methyl-1-pentanol	55.92
methyl formate	9.27
2-methyl-1-butanol	38.63
n-decane	9.98
butyronitrile	34.13
3,7-dimethyl-1-octanol	44.9
1-chlorooctane	48.48
1-chlorotetradecane	13.31
n-nonane	9.28
undecane	5.47
tert-butylcyclohexane	21.43
cyclooctane	15.88
cyclopentanol	33.06
tetrahydropyran	216.2
tert-amyl methyl ether	112.45
2,5,8-trioxanonane	181.04
1-hexene	51.23
2-isopropoxyethanol	51.02
2,2,2-trifluoroethanol	7.43
methyl butyrate	136.88

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