Molecular formula
C13H22O3

SMILES
CC(=CCCC(=CCOC(=O)COC)C)C

Fragrance
Floral	81.71%
Rose	76.7%
Sweet	67.66%
Fruity	60.06%
Waxy	55.5%
Green	55.01%
Citrus	51.26%
Fresh	43.76%
Geranium	41.75%
Honey	40.14%

 

Flavor
Green	62.36%
Rose	56.32%
Fruity	55.77%
Waxy	49.47%
Bitter	47.71%
Sweet	45.46%
Floral	43.87%
Tropical	39.1%
Apple	36.35%
Geranium	34.22%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
7.74 (neutral)

Molecular weight
226.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
278°C

Flash point

• 117.89 ˚C est.

3,7-Dimethylocta-2,6-dienyl 2-methoxyacetate is a terpenoid fragrance ester primarily considered for perfumery and fragrance applications; it may function as an odorant and has potential to act as a fixative to extend scent in formulations; it is also evaluated for cosmetics and personal care products as a fragrance component; in household products, it can contribute to scent in cleaners and detergents; in industrial manufacturing, it may serve as an intermediate or fragrance chemical used in fragrance chemistry and industrial formulations; additional exploration is ongoing for use in coatings and inks as a scent additive.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1061.62
methanol	1081.95
isopropanol	654.67
water	0.6
ethyl acetate	591.18
n-propanol	646.85
acetone	518.94
n-butanol	602.59
acetonitrile	408.09
DMF	423.14
toluene	183.88
isobutanol	363.35
1,4-dioxane	1027.7
methyl acetate	391.6
THF	990.79
2-butanone	397.52
n-pentanol	337.86
sec-butanol	588.79
n-hexane	35.29
ethylene glycol	105.98
NMP	370.9
cyclohexane	107.71
DMSO	668.29
n-butyl acetate	256.26
n-octanol	107.55
chloroform	1291.12
n-propyl acetate	273.99
acetic acid	751.89
dichloromethane	1089.2
cyclohexanone	595.28
propylene glycol	316.57
isopropyl acetate	242.94
DMAc	415.63
2-ethoxyethanol	648.99
isopentanol	383.54
n-heptane	22.92
ethyl formate	270.77
1,2-dichloroethane	606.66
n-hexanol	302.3
2-methoxyethanol	1156.89
isobutyl acetate	151.83
tetrachloromethane	144.84
n-pentyl acetate	142.12
transcutol	1474.77
n-heptanol	118.62
ethylbenzene	104.82
MIBK	184.71
2-propoxyethanol	482.42
tert-butanol	760.46
MTBE	381.29
2-butoxyethanol	256.56
propionic acid	394.99
o-xylene	124.39
formic acid	230.47
diethyl ether	447.74
m-xylene	131.85
p-xylene	142.35
chlorobenzene	233.25
dimethyl carbonate	90.07
n-octane	8.53
formamide	367.03
cyclopentanone	482.76
2-pentanone	336.75
anisole	241.48
cyclopentyl methyl ether	415.57
gamma-butyrolactone	519.54
1-methoxy-2-propanol	698.51
pyridine	560.06
3-pentanone	230.47
furfural	498.42
n-dodecane	6.48
diethylene glycol	365.46
diisopropyl ether	88.45
tert-amyl alcohol	579.21
acetylacetone	330.63
n-hexadecane	7.57
acetophenone	224.38
methyl propionate	302.09
isopentyl acetate	228.98
trichloroethylene	1121.92
n-nonanol	100.13
cyclohexanol	562.11
benzyl alcohol	254.51
2-ethylhexanol	163.11
isooctanol	98.83
dipropyl ether	162.8
1,2-dichlorobenzene	215.59
ethyl lactate	151.82
propylene carbonate	306.15
n-methylformamide	269.62
2-pentanol	402.59
n-pentane	34.26
1-propoxy-2-propanol	330.3
1-methoxy-2-propyl acetate	284.94
2-(2-methoxypropoxy) propanol	279.24
mesitylene	82.24
ε-caprolactone	497.01
p-cymene	69.13
epichlorohydrin	798.03
1,1,1-trichloroethane	546.73
2-aminoethanol	334.77
morpholine-4-carbaldehyde	532.9
sulfolane	535.33
2,2,4-trimethylpentane	23.45
2-methyltetrahydrofuran	732.17
n-hexyl acetate	208.51
isooctane	14.3
2-(2-butoxyethoxy)ethanol	386.33
sec-butyl acetate	179.49
tert-butyl acetate	264.3
decalin	34.34
glycerin	319.09
diglyme	664.36
acrylic acid	275.42
isopropyl myristate	77.84
n-butyric acid	605.86
acetyl acetate	271.41
di(2-ethylhexyl) phthalate	89.73
ethyl propionate	234.83
nitromethane	786.44
1,2-diethoxyethane	355.64
benzonitrile	228.98
trioctyl phosphate	60.44
1-bromopropane	326.92
gamma-valerolactone	695.52
n-decanol	71.74
triethyl phosphate	107.99
4-methyl-2-pentanol	149.24
propionitrile	291.58
vinylene carbonate	278.35
1,1,2-trichlorotrifluoroethane	645.43
DMS	180.9
cumene	73.2
2-octanol	75.75
2-hexanone	238.12
octyl acetate	103.45
limonene	117.17
1,2-dimethoxyethane	683.19
ethyl orthosilicate	113.05
tributyl phosphate	82.01
diacetone alcohol	344.88
N,N-dimethylaniline	145.52
acrylonitrile	301.42
aniline	329.56
1,3-propanediol	561.73
bromobenzene	222.45
dibromomethane	712.19
1,1,2,2-tetrachloroethane	1025.02
2-methyl-cyclohexyl acetate	192.46
tetrabutyl urea	97.67
diisobutyl methanol	85.82
2-phenylethanol	209.55
styrene	127.76
dioctyl adipate	138.53
dimethyl sulfate	134.07
ethyl butyrate	216.78
methyl lactate	167.22
butyl lactate	139.68
diethyl carbonate	150.18
propanediol butyl ether	252.32
triethyl orthoformate	165.18
p-tert-butyltoluene	67.4
methyl 4-tert-butylbenzoate	182.46
morpholine	1433.24
tert-butylamine	411.55
n-dodecanol	53.25
dimethoxymethane	346.53
ethylene carbonate	255.08
cyrene	238.23
2-ethoxyethyl acetate	241.63
2-ethylhexyl acetate	175.97
1,2,4-trichlorobenzene	280.22
4-methylpyridine	446.0
dibutyl ether	131.39
2,6-dimethyl-4-heptanol	85.82
DEF	344.82
dimethyl isosorbide	402.43
tetrachloroethylene	597.33
eugenol	188.02
triacetin	243.53
span 80	245.97
1,4-butanediol	195.4
1,1-dichloroethane	591.25
2-methyl-1-pentanol	263.61
methyl formate	191.03
2-methyl-1-butanol	363.42
n-decane	11.99
butyronitrile	349.66
3,7-dimethyl-1-octanol	116.98
1-chlorooctane	66.28
1-chlorotetradecane	23.74
n-nonane	11.55
undecane	8.37
tert-butylcyclohexane	29.75
cyclooctane	23.98
cyclopentanol	399.7
tetrahydropyran	968.58
tert-amyl methyl ether	266.16
2,5,8-trioxanonane	446.68
1-hexene	142.12
2-isopropoxyethanol	353.66
2,2,2-trifluoroethanol	160.71
methyl butyrate	313.47

Scent© AI