Molecular formula
C12H20O2

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

Fragrance
Fruity	76.38%
Green	73.59%
Floral	67.35%
Citrus	61.92%
Fresh	55.99%
Sweet	48.2%
Tropical	46.34%
Rose	45.45%
Waxy	42.5%
Herbal	38.48%

 

Flavor
Floral	69.48%
Woody	51.93%
Fruity	50.38%
Citrus	37.96%
Sweet	37.83%
Tropical	36.92%
Herbal	32.73%
Green	31.68%
Lavender	29.49%
Orange	29.26%

 

Odor impact est.
Medium

XLogP3-AA
3.9

pKa est.
7.92 (neutral)

Molecular weight
196.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
231°C

Flash point

• 102.42 ˚C est.

3,7-Dimethylocta-1,7-dienyl acetate is typically considered a fragrance ingredient and odorant, contributing to scent persistence in perfumery and potentially serving as a fragrance fixative. It may be evaluated for cosmetic/personal care formulations as a fragrance component and for household products (cleaning agents, air fresheners) as a scent additive. It can serve as an intermediate in the synthesis of additional fragrance compounds and aroma chemicals. As a reactive precursor, it could find use in polymer or plastics formulations and in coatings/inks as an aroma-related additive, depending on regulatory and formulation limits. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2931.38
methanol	2979.72
isopropanol	2060.61
water	0.5
ethyl acetate	980.98
n-propanol	1577.53
acetone	1414.85
n-butanol	1404.25
acetonitrile	695.56
DMF	1137.97
toluene	300.28
isobutanol	983.8
1,4-dioxane	2116.91
methyl acetate	683.67
THF	2601.8
2-butanone	872.92
n-pentanol	928.18
sec-butanol	1249.42
n-hexane	78.93
ethylene glycol	225.72
NMP	744.99
cyclohexane	99.16
DMSO	1108.03
n-butyl acetate	630.59
n-octanol	274.63
chloroform	1412.0
n-propyl acetate	510.04
acetic acid	930.9
dichloromethane	1110.12
cyclohexanone	1081.33
propylene glycol	636.66
isopropyl acetate	616.04
DMAc	854.37
2-ethoxyethanol	1006.05
isopentanol	1026.84
n-heptane	35.58
ethyl formate	476.1
1,2-dichloroethane	645.71
n-hexanol	923.87
2-methoxyethanol	1804.52
isobutyl acetate	333.68
tetrachloromethane	126.36
n-pentyl acetate	288.71
transcutol	3246.47
n-heptanol	262.4
ethylbenzene	162.76
MIBK	489.32
2-propoxyethanol	1260.13
tert-butanol	1816.27
MTBE	1032.34
2-butoxyethanol	485.89
propionic acid	644.98
o-xylene	166.33
formic acid	269.65
diethyl ether	926.74
m-xylene	229.23
p-xylene	195.96
chlorobenzene	328.43
dimethyl carbonate	148.81
n-octane	12.32
formamide	354.4
cyclopentanone	1035.15
2-pentanone	798.04
anisole	421.05
cyclopentyl methyl ether	928.48
gamma-butyrolactone	970.59
1-methoxy-2-propanol	1494.84
pyridine	859.77
3-pentanone	384.43
furfural	761.73
n-dodecane	11.49
diethylene glycol	758.29
diisopropyl ether	212.57
tert-amyl alcohol	1208.96
acetylacetone	717.35
n-hexadecane	13.33
acetophenone	316.3
methyl propionate	509.38
isopentyl acetate	569.64
trichloroethylene	1146.96
n-nonanol	230.73
cyclohexanol	987.17
benzyl alcohol	423.41
2-ethylhexanol	393.06
isooctanol	197.24
dipropyl ether	361.74
1,2-dichlorobenzene	254.6
ethyl lactate	241.3
propylene carbonate	540.66
n-methylformamide	570.65
2-pentanol	813.2
n-pentane	58.81
1-propoxy-2-propanol	860.56
1-methoxy-2-propyl acetate	661.77
2-(2-methoxypropoxy) propanol	533.56
mesitylene	128.89
ε-caprolactone	888.47
p-cymene	102.57
epichlorohydrin	1312.26
1,1,1-trichloroethane	591.19
2-aminoethanol	733.2
morpholine-4-carbaldehyde	1077.94
sulfolane	851.96
2,2,4-trimethylpentane	35.37
2-methyltetrahydrofuran	1800.41
n-hexyl acetate	509.77
isooctane	32.47
2-(2-butoxyethoxy)ethanol	826.85
sec-butyl acetate	358.35
tert-butyl acetate	610.64
decalin	48.89
glycerin	539.34
diglyme	1239.32
acrylic acid	379.6
isopropyl myristate	168.04
n-butyric acid	1142.51
acetyl acetate	439.53
di(2-ethylhexyl) phthalate	183.13
ethyl propionate	382.23
nitromethane	961.68
1,2-diethoxyethane	820.76
benzonitrile	426.11
trioctyl phosphate	120.97
1-bromopropane	457.84
gamma-valerolactone	1412.13
n-decanol	163.66
triethyl phosphate	152.38
4-methyl-2-pentanol	403.71
propionitrile	523.6
vinylene carbonate	450.3
1,1,2-trichlorotrifluoroethane	811.44
DMS	287.61
cumene	116.44
2-octanol	173.66
2-hexanone	570.37
octyl acetate	224.55
limonene	184.02
1,2-dimethoxyethane	1373.08
ethyl orthosilicate	159.18
tributyl phosphate	167.17
diacetone alcohol	788.66
N,N-dimethylaniline	259.96
acrylonitrile	490.61
aniline	531.91
1,3-propanediol	1085.16
bromobenzene	313.42
dibromomethane	694.35
1,1,2,2-tetrachloroethane	1028.3
2-methyl-cyclohexyl acetate	322.07
tetrabutyl urea	195.01
diisobutyl methanol	190.19
2-phenylethanol	439.89
styrene	207.39
dioctyl adipate	266.24
dimethyl sulfate	195.69
ethyl butyrate	385.11
methyl lactate	299.75
butyl lactate	268.87
diethyl carbonate	232.61
propanediol butyl ether	619.49
triethyl orthoformate	259.59
p-tert-butyltoluene	104.06
methyl 4-tert-butylbenzoate	289.87
morpholine	2905.74
tert-butylamine	937.53
n-dodecanol	118.07
dimethoxymethane	816.66
ethylene carbonate	413.35
cyrene	387.12
2-ethoxyethyl acetate	453.9
2-ethylhexyl acetate	399.29
1,2,4-trichlorobenzene	337.32
4-methylpyridine	916.34
dibutyl ether	341.83
2,6-dimethyl-4-heptanol	190.19
DEF	705.32
dimethyl isosorbide	753.69
tetrachloroethylene	545.03
eugenol	314.84
triacetin	424.57
span 80	496.73
1,4-butanediol	375.47
1,1-dichloroethane	778.15
2-methyl-1-pentanol	696.74
methyl formate	329.12
2-methyl-1-butanol	863.44
n-decane	20.21
butyronitrile	740.76
3,7-dimethyl-1-octanol	304.4
1-chlorooctane	121.38
1-chlorotetradecane	43.53
n-nonane	19.24
undecane	14.49
tert-butylcyclohexane	56.16
cyclooctane	26.37
cyclopentanol	912.38
tetrahydropyran	2053.17
tert-amyl methyl ether	609.92
2,5,8-trioxanonane	844.9
1-hexene	363.27
2-isopropoxyethanol	666.62
2,2,2-trifluoroethanol	158.27
methyl butyrate	545.6

Scent© AI