Molecular formula
C12H20O3

SMILES
CC(=CCC/C(=C/COCC(=O)O)/C)C

Fragrance
Floral	79.05%
Sweet	67.33%
Rose	62.01%
Waxy	53.22%
Citrus	53.02%
Fresh	49.64%
Green	47.48%
Lily	38.58%
Fruity	37.77%
Lemon	35.92%

 

Flavor
Green	61.95%
Floral	45.28%
Waxy	38.24%
Fatty	36.47%
Sweet	35.97%
Woody	32.31%
Oily	32.26%
Herbal	29.83%
Fruity	28.98%
Rose	27.05%

 

Odor impact est.
Low

XLogP3-AA
3.0

pKa est.
8.06 (weak base)

Molecular weight
212.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
311°C

Flash point

• 156.64 ˚C est.

• SCHEMBL6579163
• SCHEMBL6579169

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid may be used as a terpene-derived ester in fragrance and cosmetic chemistry, functioning as a fragrance intermediate and potential fixative that can contribute woody and green notes; it may serve as a scent carrier or odorant in household products and personal care formulations; as a defined glycolic acid ester with a terpenoid alcohol, it is commonly evaluated as an intermediate in organic synthesis for specialty chemicals and custom formulations; in polymers/plastics, it may be explored as a fragrance additive or processing modifier, and in coatings/inks, as a fragrance additive to impart aroma in niche applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	410.12
methanol	445.29
isopropanol	242.7
water	0.38
ethyl acetate	87.98
n-propanol	276.65
acetone	107.28
n-butanol	244.22
acetonitrile	50.17
DMF	153.63
toluene	27.56
isobutanol	150.54
1,4-dioxane	191.98
methyl acetate	70.88
THF	288.92
2-butanone	101.88
n-pentanol	159.07
sec-butanol	208.96
n-hexane	13.18
ethylene glycol	53.06
NMP	132.83
cyclohexane	12.67
DMSO	271.46
n-butyl acetate	70.67
n-octanol	47.18
chloroform	127.57
n-propyl acetate	68.66
acetic acid	153.61
dichloromethane	87.45
cyclohexanone	128.64
propylene glycol	176.1
isopropyl acetate	58.5
DMAc	199.54
2-ethoxyethanol	279.44
isopentanol	165.0
n-heptane	6.65
ethyl formate	47.68
1,2-dichloroethane	70.6
n-hexanol	144.2
2-methoxyethanol	419.16
isobutyl acetate	49.88
tetrachloromethane	19.02
n-pentyl acetate	40.0
transcutol	629.57
n-heptanol	53.77
ethylbenzene	24.39
MIBK	76.48
2-propoxyethanol	230.47
tert-butanol	296.96
MTBE	117.22
2-butoxyethanol	111.92
propionic acid	105.17
o-xylene	31.01
formic acid	76.52
diethyl ether	96.38
m-xylene	35.37
p-xylene	29.18
chlorobenzene	29.98
dimethyl carbonate	22.54
n-octane	2.76
formamide	96.39
cyclopentanone	132.58
2-pentanone	93.07
anisole	69.18
cyclopentyl methyl ether	127.89
gamma-butyrolactone	121.71
1-methoxy-2-propanol	306.51
pyridine	73.54
3-pentanone	59.27
furfural	113.5
n-dodecane	1.96
diethylene glycol	182.08
diisopropyl ether	29.07
tert-amyl alcohol	223.86
acetylacetone	83.09
n-hexadecane	2.21
acetophenone	67.62
methyl propionate	67.85
isopentyl acetate	75.32
trichloroethylene	132.16
n-nonanol	42.78
cyclohexanol	144.22
benzyl alcohol	80.14
2-ethylhexanol	68.06
isooctanol	46.2
dipropyl ether	50.87
1,2-dichlorobenzene	35.71
ethyl lactate	60.51
propylene carbonate	71.76
n-methylformamide	87.03
2-pentanol	150.51
n-pentane	9.93
1-propoxy-2-propanol	162.81
1-methoxy-2-propyl acetate	103.93
2-(2-methoxypropoxy) propanol	138.69
mesitylene	26.08
ε-caprolactone	118.2
p-cymene	21.49
epichlorohydrin	167.66
1,1,1-trichloroethane	58.0
2-aminoethanol	180.28
morpholine-4-carbaldehyde	172.17
sulfolane	169.05
2,2,4-trimethylpentane	8.79
2-methyltetrahydrofuran	194.34
n-hexyl acetate	64.32
isooctane	6.8
2-(2-butoxyethoxy)ethanol	185.11
sec-butyl acetate	53.5
tert-butyl acetate	91.01
decalin	8.52
glycerin	160.25
diglyme	255.05
acrylic acid	69.58
isopropyl myristate	25.78
n-butyric acid	147.35
acetyl acetate	41.11
di(2-ethylhexyl) phthalate	34.58
ethyl propionate	55.75
nitromethane	120.42
1,2-diethoxyethane	114.59
benzonitrile	45.05
trioctyl phosphate	23.7
1-bromopropane	44.65
gamma-valerolactone	187.32
n-decanol	30.46
triethyl phosphate	36.06
4-methyl-2-pentanol	77.08
propionitrile	54.39
vinylene carbonate	53.97
1,1,2-trichlorotrifluoroethane	170.8
DMS	47.93
cumene	23.55
2-octanol	31.77
2-hexanone	80.09
octyl acetate	34.09
limonene	32.8
1,2-dimethoxyethane	235.57
ethyl orthosilicate	38.46
tributyl phosphate	30.24
diacetone alcohol	159.23
N,N-dimethylaniline	57.73
acrylonitrile	54.56
aniline	65.38
1,3-propanediol	239.04
bromobenzene	25.2
dibromomethane	64.15
1,1,2,2-tetrachloroethane	146.42
2-methyl-cyclohexyl acetate	66.61
tetrabutyl urea	39.85
diisobutyl methanol	38.11
2-phenylethanol	73.68
styrene	24.34
dioctyl adipate	48.65
dimethyl sulfate	42.12
ethyl butyrate	56.23
methyl lactate	63.39
butyl lactate	58.75
diethyl carbonate	35.93
propanediol butyl ether	140.89
triethyl orthoformate	50.62
p-tert-butyltoluene	22.36
methyl 4-tert-butylbenzoate	71.36
morpholine	328.97
tert-butylamine	150.2
n-dodecanol	21.64
dimethoxymethane	116.75
ethylene carbonate	48.17
cyrene	109.1
2-ethoxyethyl acetate	70.77
2-ethylhexyl acetate	56.08
1,2,4-trichlorobenzene	46.9
4-methylpyridine	74.25
dibutyl ether	39.02
2,6-dimethyl-4-heptanol	38.11
DEF	93.95
dimethyl isosorbide	178.32
tetrachloroethylene	89.13
eugenol	75.84
triacetin	79.84
span 80	108.99
1,4-butanediol	101.97
1,1-dichloroethane	60.65
2-methyl-1-pentanol	129.37
methyl formate	45.82
2-methyl-1-butanol	154.44
n-decane	3.68
butyronitrile	71.24
3,7-dimethyl-1-octanol	52.51
1-chlorooctane	17.77
1-chlorotetradecane	6.69
n-nonane	3.55
undecane	2.58
tert-butylcyclohexane	9.91
cyclooctane	5.28
cyclopentanol	128.09
tetrahydropyran	175.3
tert-amyl methyl ether	99.63
2,5,8-trioxanonane	188.26
1-hexene	44.43
2-isopropoxyethanol	172.53
2,2,2-trifluoroethanol	34.82
methyl butyrate	74.81

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