Molecular formula
C13H22O3

SMILES
CCOC(=O)OC/C=C(\C)/CCC=C(C)C

Fragrance
Floral	79.85%
Green	72.71%
Rose	66.57%
Citrus	55.31%
Fruity	54.07%
Sweet	52.69%
Herbal	48.02%
Fresh	47.61%
Waxy	46.05%
Geranium	42.18%

 

Flavor
Green	62.16%
Rose	61.83%
Fruity	60.27%
Bitter	55.71%
Waxy	48.28%
Sweet	44.27%
Apple	42.01%
Tropical	40.16%
Fruit	38.25%
Floral	37.1%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
8.55 (weak base)

Molecular weight
226.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
265°C

Flash point

• 119.95 ˚C est.

• geranyl ethyl carbonate
• SCHEMBL3269985
• SCHEMBL4962981
• VHCQYGMNMOULRZ-FMIVXFBMSA-N
• (E)-3,7-Dimethylocta-2,6-dienyl ethyl carbonate

(E)-3,7-Dimethylocta-2,6-dienyl ethyl carbonate can be viewed as a versatile intermediate in organic synthesis, particularly for protecting alcohol groups with an ethyl carbonate moiety; it also serves as a precursor for fragrance ingredients and fragrance components in the cosmetics industry; moreover, it can function as a feedstock or additive in polymers and coatings to impart specific properties to resins or films; its use as a precursor to more complex terpenoid-like compounds in synthetic routes is also considered, with actual application depending on local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1396.1
methanol	1227.22
isopropanol	1033.8
water	0.11
ethyl acetate	965.87
n-propanol	871.86
acetone	1091.52
n-butanol	854.19
acetonitrile	571.45
DMF	995.12
toluene	428.72
isobutanol	616.11
1,4-dioxane	1473.28
methyl acetate	579.08
THF	2031.83
2-butanone	864.51
n-pentanol	645.37
sec-butanol	1006.48
n-hexane	124.83
ethylene glycol	50.09
NMP	930.05
cyclohexane	162.43
DMSO	960.24
n-butyl acetate	582.82
n-octanol	236.27
chloroform	1926.43
n-propyl acetate	536.91
acetic acid	646.93
dichloromethane	1675.17
cyclohexanone	1124.8
propylene glycol	182.78
isopropyl acetate	603.99
DMAc	955.45
2-ethoxyethanol	729.84
isopentanol	748.38
n-heptane	35.37
ethyl formate	323.66
1,2-dichloroethane	1010.05
n-hexanol	555.63
2-methoxyethanol	1081.98
isobutyl acetate	348.17
tetrachloromethane	183.83
n-pentyl acetate	326.37
transcutol	2192.15
n-heptanol	224.72
ethylbenzene	240.81
MIBK	501.83
2-propoxyethanol	736.84
tert-butanol	1285.69
MTBE	1167.23
2-butoxyethanol	394.92
propionic acid	409.68
o-xylene	249.7
formic acid	135.08
diethyl ether	1129.22
m-xylene	312.82
p-xylene	318.63
chlorobenzene	474.73
dimethyl carbonate	157.54
n-octane	18.11
formamide	241.75
cyclopentanone	1090.28
2-pentanone	823.53
anisole	463.85
cyclopentyl methyl ether	905.94
gamma-butyrolactone	979.53
1-methoxy-2-propanol	895.9
pyridine	932.53
3-pentanone	518.4
furfural	688.79
n-dodecane	15.43
diethylene glycol	355.76
diisopropyl ether	292.4
tert-amyl alcohol	1158.6
acetylacetone	706.35
n-hexadecane	18.21
acetophenone	400.75
methyl propionate	532.55
isopentyl acetate	543.03
trichloroethylene	1801.89
n-nonanol	209.05
cyclohexanol	721.85
benzyl alcohol	366.06
2-ethylhexanol	295.84
isooctanol	189.51
dipropyl ether	303.4
1,2-dichlorobenzene	391.92
ethyl lactate	199.14
propylene carbonate	526.49
n-methylformamide	342.35
2-pentanol	711.09
n-pentane	85.1
1-propoxy-2-propanol	526.53
1-methoxy-2-propyl acetate	522.91
2-(2-methoxypropoxy) propanol	448.13
mesitylene	185.58
ε-caprolactone	893.35
p-cymene	122.08
epichlorohydrin	1377.09
1,1,1-trichloroethane	957.01
2-aminoethanol	246.75
morpholine-4-carbaldehyde	914.38
sulfolane	1027.58
2,2,4-trimethylpentane	58.2
2-methyltetrahydrofuran	1660.19
n-hexyl acetate	517.36
isooctane	41.36
2-(2-butoxyethoxy)ethanol	637.44
sec-butyl acetate	421.33
tert-butyl acetate	660.87
decalin	82.9
glycerin	183.85
diglyme	988.12
acrylic acid	252.68
isopropyl myristate	183.91
n-butyric acid	775.75
acetyl acetate	458.72
di(2-ethylhexyl) phthalate	177.08
ethyl propionate	443.97
nitromethane	818.58
1,2-diethoxyethane	685.68
benzonitrile	377.67
trioctyl phosphate	121.22
1-bromopropane	760.98
gamma-valerolactone	1211.31
n-decanol	146.42
triethyl phosphate	166.57
4-methyl-2-pentanol	330.44
propionitrile	483.58
vinylene carbonate	422.99
1,1,2-trichlorotrifluoroethane	732.46
DMS	331.18
cumene	159.7
2-octanol	176.55
2-hexanone	577.11
octyl acetate	239.23
limonene	213.19
1,2-dimethoxyethane	1136.26
ethyl orthosilicate	175.11
tributyl phosphate	170.07
diacetone alcohol	656.09
N,N-dimethylaniline	317.42
acrylonitrile	429.54
aniline	487.48
1,3-propanediol	463.46
bromobenzene	528.08
dibromomethane	1156.83
1,1,2,2-tetrachloroethane	1591.09
2-methyl-cyclohexyl acetate	346.13
tetrabutyl urea	209.31
diisobutyl methanol	157.19
2-phenylethanol	350.03
styrene	304.02
dioctyl adipate	278.23
dimethyl sulfate	248.61
ethyl butyrate	382.64
methyl lactate	210.88
butyl lactate	256.76
diethyl carbonate	238.8
propanediol butyl ether	394.08
triethyl orthoformate	264.16
p-tert-butyltoluene	123.33
methyl 4-tert-butylbenzoate	345.9
morpholine	2097.77
tert-butylamine	843.53
n-dodecanol	106.02
dimethoxymethane	741.79
ethylene carbonate	376.58
cyrene	368.55
2-ethoxyethyl acetate	462.18
2-ethylhexyl acetate	432.96
1,2,4-trichlorobenzene	487.57
4-methylpyridine	971.96
dibutyl ether	329.38
2,6-dimethyl-4-heptanol	157.19
DEF	837.88
dimethyl isosorbide	697.18
tetrachloroethylene	864.68
eugenol	327.3
triacetin	436.89
span 80	411.17
1,4-butanediol	168.8
1,1-dichloroethane	1166.34
2-methyl-1-pentanol	608.73
methyl formate	207.57
2-methyl-1-butanol	720.2
n-decane	27.69
butyronitrile	646.6
3,7-dimethyl-1-octanol	243.5
1-chlorooctane	156.37
1-chlorotetradecane	56.44
n-nonane	25.71
undecane	19.86
tert-butylcyclohexane	76.5
cyclooctane	39.51
cyclopentanol	609.53
tetrahydropyran	1795.29
tert-amyl methyl ether	774.51
2,5,8-trioxanonane	681.82
1-hexene	469.71
2-isopropoxyethanol	522.42
2,2,2-trifluoroethanol	115.14
methyl butyrate	612.06

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