Molecular formula
C20H28NO3-

SMILES
C[C@H](/C=C(\C)/C=C/[C@@H]([C@@H](C)C(=O)[O-])N)[C@@H](CC1=CC=CC=C1)OC

Fragrance
Woody	31.89%
Grapefruit	27.83%
Floral	27.57%
Herbal	27.33%
Citrus	26.88%
Odorless	26.88%
Spicy	26.87%
Savory	25.26%
Cooling	24.76%
Fresh	23.95%

 

Flavor
Bitter	34.14%
Odorless	21.67%
Mild	20.7%
Herbal	20.45%
Oriental	19.87%
Nitrile	19.72%
Mouldy	19.21%
Ocimene	18.83%
Cedarleaf	18.78%
Heather	18.54%

 

Odor impact est.
Low

XLogP3-AA
2.0

pKa est.
4.66 (weak acid)

Molecular weight
330.4 g/mol

Flash point

• 204.82 ˚C est.

The compound (2R,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoate is typically evaluated as a chiral building block and pharmaceutical intermediate in drug synthesis, serving as a scaffold for asymmetric transformations. It is also used as an intermediate in the development of agrochemicals, where its stereochemistry and ester functionality support downstream functionalization. In polymer and materials science, the conjugated diene and ester/amine functionalities can enable use as a functional monomer or precursor for specialty polymers and crosslinkable matrices. Within cosmetics and personal care or fragrance development, such amino ester derivatives may be explored as synthetic intermediates for fragrance compounds or cosmetic ingredients, subject to formulation and regulatory limits. Additionally, it may be encountered as a research reagent in advanced materials R&D or as a niche building block for asymmetric synthesis.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	96.26
methanol	190.24
isopropanol	34.59
water	0.64
ethyl acetate	34.36
n-propanol	65.63
acetone	50.26
n-butanol	45.54
acetonitrile	17.56
DMF	89.48
toluene	22.17
isobutanol	34.98
1,4-dioxane	98.96
methyl acetate	29.67
THF	131.4
2-butanone	46.76
n-pentanol	48.27
sec-butanol	34.93
n-hexane	0.87
ethylene glycol	15.13
NMP	82.4
cyclohexane	1.66
DMSO	176.45
n-butyl acetate	14.32
n-octanol	7.03
chloroform	136.76
n-propyl acetate	21.15
acetic acid	100.56
dichloromethane	127.45
cyclohexanone	71.84
propylene glycol	39.87
isopropyl acetate	19.47
DMAc	181.89
2-ethoxyethanol	144.57
isopentanol	35.53
n-heptane	0.5
ethyl formate	26.56
1,2-dichloroethane	75.76
n-hexanol	27.54
2-methoxyethanol	150.38
isobutyl acetate	15.25
tetrachloromethane	12.34
n-pentyl acetate	11.74
transcutol	229.7
n-heptanol	14.53
ethylbenzene	10.68
MIBK	25.09
2-propoxyethanol	85.62
tert-butanol	34.96
MTBE	18.14
2-butoxyethanol	48.84
propionic acid	39.53
o-xylene	15.43
formic acid	68.86
diethyl ether	17.71
m-xylene	16.41
p-xylene	11.66
chlorobenzene	25.48
dimethyl carbonate	18.39
n-octane	0.33
formamide	77.74
cyclopentanone	74.59
2-pentanone	34.07
anisole	30.06
cyclopentyl methyl ether	39.8
gamma-butyrolactone	73.68
1-methoxy-2-propanol	92.36
pyridine	54.78
3-pentanone	28.63
furfural	84.5
n-dodecane	0.24
diethylene glycol	76.47
diisopropyl ether	4.04
tert-amyl alcohol	34.76
acetylacetone	43.34
n-hexadecane	0.27
acetophenone	33.8
methyl propionate	31.48
isopentyl acetate	17.23
trichloroethylene	144.83
n-nonanol	7.53
cyclohexanol	34.08
benzyl alcohol	47.48
2-ethylhexanol	11.04
isooctanol	11.84
dipropyl ether	6.99
1,2-dichlorobenzene	26.53
ethyl lactate	22.45
propylene carbonate	40.83
n-methylformamide	51.68
2-pentanol	18.16
n-pentane	0.63
1-propoxy-2-propanol	41.81
1-methoxy-2-propyl acetate	33.01
2-(2-methoxypropoxy) propanol	38.31
mesitylene	8.24
ε-caprolactone	58.67
p-cymene	5.54
epichlorohydrin	124.95
1,1,1-trichloroethane	36.41
2-aminoethanol	52.02
morpholine-4-carbaldehyde	102.96
sulfolane	99.84
2,2,4-trimethylpentane	1.03
2-methyltetrahydrofuran	55.36
n-hexyl acetate	13.23
isooctane	0.65
2-(2-butoxyethoxy)ethanol	58.44
sec-butyl acetate	14.16
tert-butyl acetate	21.52
decalin	1.5
glycerin	56.1
diglyme	106.47
acrylic acid	37.35
isopropyl myristate	4.7
n-butyric acid	54.67
acetyl acetate	25.7
di(2-ethylhexyl) phthalate	12.71
ethyl propionate	17.76
nitromethane	100.07
1,2-diethoxyethane	31.41
benzonitrile	22.96
trioctyl phosphate	6.59
1-bromopropane	22.06
gamma-valerolactone	132.13
n-decanol	5.25
triethyl phosphate	11.4
4-methyl-2-pentanol	13.65
propionitrile	15.18
vinylene carbonate	37.12
1,1,2-trichlorotrifluoroethane	122.08
DMS	18.01
cumene	7.99
2-octanol	5.99
2-hexanone	26.41
octyl acetate	7.09
limonene	6.88
1,2-dimethoxyethane	104.86
ethyl orthosilicate	12.06
tributyl phosphate	7.7
diacetone alcohol	43.6
N,N-dimethylaniline	23.88
acrylonitrile	21.23
aniline	41.22
1,3-propanediol	69.52
bromobenzene	22.94
dibromomethane	63.69
1,1,2,2-tetrachloroethane	127.88
2-methyl-cyclohexyl acetate	19.45
tetrabutyl urea	11.78
diisobutyl methanol	5.82
2-phenylethanol	32.14
styrene	12.36
dioctyl adipate	12.19
dimethyl sulfate	36.19
ethyl butyrate	13.13
methyl lactate	31.5
butyl lactate	19.91
diethyl carbonate	10.27
propanediol butyl ether	39.57
triethyl orthoformate	13.47
p-tert-butyltoluene	5.02
methyl 4-tert-butylbenzoate	28.0
morpholine	128.22
tert-butylamine	11.95
n-dodecanol	3.51
dimethoxymethane	80.25
ethylene carbonate	30.53
cyrene	57.08
2-ethoxyethyl acetate	30.59
2-ethylhexyl acetate	12.3
1,2,4-trichlorobenzene	33.9
4-methylpyridine	44.99
dibutyl ether	4.98
2,6-dimethyl-4-heptanol	5.82
DEF	43.08
dimethyl isosorbide	63.25
tetrachloroethylene	77.87
eugenol	35.97
triacetin	25.69
span 80	29.32
1,4-butanediol	44.61
1,1-dichloroethane	45.62
2-methyl-1-pentanol	40.7
methyl formate	38.96
2-methyl-1-butanol	37.03
n-decane	0.44
butyronitrile	17.83
3,7-dimethyl-1-octanol	7.8
1-chlorooctane	2.73
1-chlorotetradecane	1.05
n-nonane	0.37
undecane	0.31
tert-butylcyclohexane	1.25
cyclooctane	0.64
cyclopentanol	32.81
tetrahydropyran	57.28
tert-amyl methyl ether	17.42
2,5,8-trioxanonane	69.37
1-hexene	4.85
2-isopropoxyethanol	73.43
2,2,2-trifluoroethanol	33.19
methyl butyrate	26.23

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