Molecular formula
C14H24O2

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

Fragrance
Fruity	90.95%
Floral	78.55%
Sweet	77.99%
Rose	77.01%
Green	70.16%
Citrus	62.23%
Tropical	62.23%
Waxy	56.26%
Apple	54.0%
Pear	49.31%

 

Flavor
Fruity	73.79%
Sweet	65.37%
Rose	62.14%
Green	60.64%
Floral	58.39%
Tropical	44.9%
Waxy	42.99%
Bitter	41.99%
Geranium	39.96%
Apple	37.58%

 

Odor impact est.
Medium

XLogP3-AA
4.5

pKa est.
8.75 (weak base)

Molecular weight
224.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
263°C

Flash point

• 115.3 ˚C est.

• Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
• 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate
• 3,7-Dimethyl-2,6-octadienyl isobutyrate
• DTXSID00859717
• AKOS028109416
• 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate

Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is a terpenoid-like propionate commonly used in fragrance chemistry; in perfumery it functions as a fragrance ingredient and fixative to extend aroma notes; in cosmetics/personal care it is employed as a scent component in lotions, creams and other personal care products; in household products and cleaning formulations it adds fragrance to detergents and surface cleaners; in coatings/inks it can be used as a fragrance additive compatible with resin systems; in industrial manufacturing it may serve as an intermediate in fragrance synthesis or as a formulation aid; in specialty polymer formulations it may act as a plasticizer or processing aid to influence odor release and material properties.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1187.32
methanol	810.03
isopropanol	976.95
water	0.24
ethyl acetate	1654.88
n-propanol	832.95
acetone	916.43
n-butanol	1096.71
acetonitrile	808.17
DMF	574.83
toluene	825.78
isobutanol	711.84
1,4-dioxane	1977.17
methyl acetate	906.43
THF	2067.29
2-butanone	1067.88
n-pentanol	901.0
sec-butanol	1193.92
n-hexane	550.51
ethylene glycol	37.78
NMP	649.66
cyclohexane	563.98
DMSO	442.87
n-butyl acetate	1349.97
n-octanol	434.33
chloroform	3031.63
n-propyl acetate	1015.74
acetic acid	700.87
dichloromethane	2372.07
cyclohexanone	1410.57
propylene glycol	129.48
isopropyl acetate	1139.6
DMAc	906.05
2-ethoxyethanol	871.66
isopentanol	1219.2
n-heptane	176.72
ethyl formate	519.7
1,2-dichloroethane	1409.48
n-hexanol	1031.17
2-methoxyethanol	895.04
isobutyl acetate	718.38
tetrachloromethane	535.25
n-pentyl acetate	753.76
transcutol	3348.11
n-heptanol	464.8
ethylbenzene	626.52
MIBK	795.81
2-propoxyethanol	1064.74
tert-butanol	1562.98
MTBE	2410.36
2-butoxyethanol	699.23
propionic acid	463.35
o-xylene	550.8
formic acid	128.4
diethyl ether	2069.45
m-xylene	595.37
p-xylene	834.18
chlorobenzene	837.01
dimethyl carbonate	176.52
n-octane	69.03
formamide	207.81
cyclopentanone	956.51
2-pentanone	1107.62
anisole	862.17
cyclopentyl methyl ether	1198.26
gamma-butyrolactone	872.23
1-methoxy-2-propanol	784.97
pyridine	1172.56
3-pentanone	755.56
furfural	826.61
n-dodecane	42.78
diethylene glycol	406.02
diisopropyl ether	718.55
tert-amyl alcohol	1656.36
acetylacetone	912.08
n-hexadecane	49.76
acetophenone	717.87
methyl propionate	691.75
isopentyl acetate	1297.1
trichloroethylene	2567.05
n-nonanol	418.69
cyclohexanol	983.38
benzyl alcohol	553.61
2-ethylhexanol	733.72
isooctanol	427.99
dipropyl ether	838.42
1,2-dichlorobenzene	767.13
ethyl lactate	287.79
propylene carbonate	674.49
n-methylformamide	264.67
2-pentanol	1045.28
n-pentane	310.16
1-propoxy-2-propanol	907.25
1-methoxy-2-propyl acetate	940.32
2-(2-methoxypropoxy) propanol	726.72
mesitylene	395.05
ε-caprolactone	1282.58
p-cymene	319.89
epichlorohydrin	1518.74
1,1,1-trichloroethane	1808.46
2-aminoethanol	192.4
morpholine-4-carbaldehyde	984.73
sulfolane	750.94
2,2,4-trimethylpentane	193.39
2-methyltetrahydrofuran	2097.73
n-hexyl acetate	995.95
isooctane	143.31
2-(2-butoxyethoxy)ethanol	994.95
sec-butyl acetate	952.5
tert-butyl acetate	1140.58
decalin	288.6
glycerin	148.17
diglyme	1634.96
acrylic acid	274.39
isopropyl myristate	349.57
n-butyric acid	1088.35
acetyl acetate	804.11
di(2-ethylhexyl) phthalate	297.79
ethyl propionate	835.96
nitromethane	783.46
1,2-diethoxyethane	1565.41
benzonitrile	680.59
trioctyl phosphate	201.61
1-bromopropane	1268.57
gamma-valerolactone	1300.6
n-decanol	299.58
triethyl phosphate	333.38
4-methyl-2-pentanol	627.05
propionitrile	662.36
vinylene carbonate	552.48
1,1,2-trichlorotrifluoroethane	776.47
DMS	513.62
cumene	421.21
2-octanol	363.41
2-hexanone	1016.77
octyl acetate	434.16
limonene	521.91
1,2-dimethoxyethane	1745.62
ethyl orthosilicate	385.86
tributyl phosphate	280.11
diacetone alcohol	869.42
N,N-dimethylaniline	577.88
acrylonitrile	529.36
aniline	655.08
1,3-propanediol	439.79
bromobenzene	978.83
dibromomethane	1760.34
1,1,2,2-tetrachloroethane	2266.63
2-methyl-cyclohexyl acetate	713.02
tetrabutyl urea	304.49
diisobutyl methanol	379.55
2-phenylethanol	623.49
styrene	708.86
dioctyl adipate	463.8
dimethyl sulfate	221.82
ethyl butyrate	928.34
methyl lactate	197.91
butyl lactate	424.45
diethyl carbonate	555.01
propanediol butyl ether	498.19
triethyl orthoformate	606.33
p-tert-butyltoluene	302.18
methyl 4-tert-butylbenzoate	543.18
morpholine	2255.49
tert-butylamine	1267.29
n-dodecanol	214.91
dimethoxymethane	625.84
ethylene carbonate	517.01
cyrene	461.78
2-ethoxyethyl acetate	851.77
2-ethylhexyl acetate	1069.69
1,2,4-trichlorobenzene	884.75
4-methylpyridine	1387.03
dibutyl ether	804.32
2,6-dimethyl-4-heptanol	379.55
DEF	1081.6
dimethyl isosorbide	1024.44
tetrachloroethylene	1399.85
eugenol	497.46
triacetin	686.67
span 80	627.24
1,4-butanediol	185.7
1,1-dichloroethane	1735.96
2-methyl-1-pentanol	1057.59
methyl formate	180.82
2-methyl-1-butanol	1074.28
n-decane	89.49
butyronitrile	1062.89
3,7-dimethyl-1-octanol	554.46
1-chlorooctane	381.53
1-chlorotetradecane	133.83
n-nonane	87.69
undecane	58.2
tert-butylcyclohexane	276.28
cyclooctane	177.53
cyclopentanol	592.58
tetrahydropyran	2325.05
tert-amyl methyl ether	1611.18
2,5,8-trioxanonane	971.15
1-hexene	1226.49
2-isopropoxyethanol	749.21
2,2,2-trifluoroethanol	160.8
methyl butyrate	1089.87

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