Molecular formula
C20H34O2

SMILES
CC(CCC=C(C)C)CC(=O)OC(C)(CCC=C(C)C)C=C

Fragrance
Floral	73.73%
Sweet	64.17%
Rose	60.49%
Citrus	59.92%
Fruity	59.59%
Woody	50.05%
Bergamot	48.6%
Herbal	45.41%
Green	43.78%
Tropical	39.66%

 

Flavor
Sweet	52.77%
Bergamot	52.43%
Fruity	52.36%
Woody	48.83%
Green	48.49%
Floral	43.16%
Herbal	40.47%
Lavender	40.35%
Rose	39.61%
Citrus	37.85%

 

Odor impact est.
Medium

XLogP3-AA
6.5

pKa est.
7.47 (neutral)

Molecular weight
306.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
319°C

Flash point

• 147.09 ˚C est.

3,7-Dimethylocta-1,6-dien-3-yl 3,7-dimethyloct-6-enoate (CAS number: ) has practical applications in perfumery and fragrance as an odorant and fixative; in cosmetics and personal care as a fragrance ingredient; in household products as a scent additive for cleaners and air fresheners; and in industrial manufacturing as an intermediate for synthesizing terpenoid fragrance compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	737.45
methanol	474.0
isopropanol	654.8
water	0.08
ethyl acetate	1197.83
n-propanol	676.15
acetone	695.15
n-butanol	811.53
acetonitrile	271.0
DMF	607.75
toluene	976.21
isobutanol	639.39
1,4-dioxane	1559.37
methyl acetate	624.68
THF	2778.31
2-butanone	950.4
n-pentanol	785.7
sec-butanol	967.01
n-hexane	523.34
ethylene glycol	15.2
NMP	1008.15
cyclohexane	715.88
DMSO	460.01
n-butyl acetate	1244.79
n-octanol	589.47
chloroform	2285.32
n-propyl acetate	833.09
acetic acid	363.53
dichloromethane	1764.94
cyclohexanone	1761.42
propylene glycol	88.85
isopropyl acetate	1084.58
DMAc	1092.06
2-ethoxyethanol	528.35
isopentanol	923.57
n-heptane	296.05
ethyl formate	391.27
1,2-dichloroethane	1077.27
n-hexanol	1038.22
2-methoxyethanol	605.1
isobutyl acetate	740.32
tetrachloromethane	354.68
n-pentyl acetate	994.63
transcutol	2442.11
n-heptanol	539.07
ethylbenzene	716.95
MIBK	849.03
2-propoxyethanol	984.34
tert-butanol	1010.33
MTBE	1736.7
2-butoxyethanol	694.64
propionic acid	342.16
o-xylene	620.02
formic acid	53.88
diethyl ether	1406.19
m-xylene	685.86
p-xylene	899.77
chlorobenzene	861.12
dimethyl carbonate	172.7
n-octane	117.43
formamide	78.03
cyclopentanone	1258.4
2-pentanone	1023.62
anisole	828.84
cyclopentyl methyl ether	1561.27
gamma-butyrolactone	1052.92
1-methoxy-2-propanol	696.87
pyridine	1100.81
3-pentanone	753.16
furfural	728.32
n-dodecane	81.11
diethylene glycol	284.19
diisopropyl ether	689.17
tert-amyl alcohol	1256.56
acetylacetone	819.91
n-hexadecane	95.27
acetophenone	697.96
methyl propionate	602.52
isopentyl acetate	1316.86
trichloroethylene	1755.57
n-nonanol	572.87
cyclohexanol	1070.69
benzyl alcohol	507.75
2-ethylhexanol	816.65
isooctanol	507.83
dipropyl ether	947.77
1,2-dichlorobenzene	794.62
ethyl lactate	267.15
propylene carbonate	782.86
n-methylformamide	210.3
2-pentanol	824.85
n-pentane	298.89
1-propoxy-2-propanol	971.29
1-methoxy-2-propyl acetate	1035.02
2-(2-methoxypropoxy) propanol	803.02
mesitylene	462.12
ε-caprolactone	1551.42
p-cymene	420.71
epichlorohydrin	1486.77
1,1,1-trichloroethane	1359.64
2-aminoethanol	103.05
morpholine-4-carbaldehyde	998.93
sulfolane	1010.14
2,2,4-trimethylpentane	226.75
2-methyltetrahydrofuran	2481.28
n-hexyl acetate	1423.74
isooctane	155.34
2-(2-butoxyethoxy)ethanol	999.28
sec-butyl acetate	848.51
tert-butyl acetate	1174.01
decalin	373.33
glycerin	94.96
diglyme	1536.01
acrylic acid	175.19
isopropyl myristate	570.62
n-butyric acid	892.53
acetyl acetate	581.06
di(2-ethylhexyl) phthalate	441.39
ethyl propionate	763.07
nitromethane	435.28
1,2-diethoxyethane	1287.9
benzonitrile	565.51
trioctyl phosphate	312.99
1-bromopropane	1168.03
gamma-valerolactone	1529.2
n-decanol	403.94
triethyl phosphate	380.95
4-methyl-2-pentanol	610.85
propionitrile	398.48
vinylene carbonate	546.66
1,1,2-trichlorotrifluoroethane	653.57
DMS	581.34
cumene	493.05
2-octanol	485.2
2-hexanone	933.31
octyl acetate	697.17
limonene	726.21
1,2-dimethoxyethane	1212.77
ethyl orthosilicate	431.97
tributyl phosphate	393.14
diacetone alcohol	838.18
N,N-dimethylaniline	644.06
acrylonitrile	283.29
aniline	625.62
1,3-propanediol	267.79
bromobenzene	988.64
dibromomethane	1402.18
1,1,2,2-tetrachloroethane	1700.63
2-methyl-cyclohexyl acetate	889.4
tetrabutyl urea	502.72
diisobutyl methanol	467.99
2-phenylethanol	708.41
styrene	735.23
dioctyl adipate	713.66
dimethyl sulfate	212.63
ethyl butyrate	927.15
methyl lactate	203.34
butyl lactate	570.98
diethyl carbonate	531.2
propanediol butyl ether	521.09
triethyl orthoformate	700.75
p-tert-butyltoluene	401.77
methyl 4-tert-butylbenzoate	769.03
morpholine	1903.36
tert-butylamine	839.56
n-dodecanol	302.06
dimethoxymethane	632.3
ethylene carbonate	552.43
cyrene	534.29
2-ethoxyethyl acetate	969.49
2-ethylhexyl acetate	1123.4
1,2,4-trichlorobenzene	897.74
4-methylpyridine	1413.05
dibutyl ether	1074.78
2,6-dimethyl-4-heptanol	467.99
DEF	996.74
dimethyl isosorbide	1292.04
tetrachloroethylene	957.98
eugenol	604.53
triacetin	881.26
span 80	811.98
1,4-butanediol	112.78
1,1-dichloroethane	1287.6
2-methyl-1-pentanol	936.27
methyl formate	148.31
2-methyl-1-butanol	866.67
n-decane	160.52
butyronitrile	676.12
3,7-dimethyl-1-octanol	685.79
1-chlorooctane	541.23
1-chlorotetradecane	219.54
n-nonane	159.65
undecane	107.35
tert-butylcyclohexane	334.73
cyclooctane	235.04
cyclopentanol	732.48
tetrahydropyran	2715.99
tert-amyl methyl ether	1310.7
2,5,8-trioxanonane	1019.69
1-hexene	1098.59
2-isopropoxyethanol	539.13
2,2,2-trifluoroethanol	79.81
methyl butyrate	941.72

Scent© AI