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

Fragrance
Floral	85.94%
Woody	67.23%
Sweet	65.14%
Fresh	60.84%
Citrus	52.77%
Lily	47.5%
Rose	43.92%
Balsamic	40.0%
Green	39.66%
Lemon	38.11%

 

Flavor
Floral	73.5%
Sweet	63.56%
Green	62.42%
Woody	61.06%
Citrus	57.28%
Flower	45.22%
Lavender	44.16%
Tropical	43.69%
Wood	39.2%
Lily	37.48%

 

Odor impact est.
Medium

pKa est.
10.27 (weak base)

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
303°C

Flash point

• 154.5 ˚C est.

(E,E)-3,7,11-Trimethyldodeca-1,6,9-trien-3,11-diol is a terpenoid-like diol that can function as a chemical intermediate in organic synthesis and may have potential as an odorant/fragrance ingredient, as well as a flavor precursor in food-related applications. It could serve as a building block for fragrance components and terpene derivatives, and may act as a diol in polymer formulations, including as a crosslinking agent or reactive chain extender in coatings, adhesives, and plastics. In cosmetics or personal care, such terpenoid diols are sometimes explored for scent contributions, subject to formulation limits and regulatory oversight. Additionally, it may serve as a chiral building block in the development of pharmaceutical or agrochemical intermediates, with actual use depending on regulatory acceptance and supply considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	539.67
methanol	702.27
isopropanol	290.78
water	1.14
ethyl acetate	198.51
n-propanol	306.55
acetone	151.27
n-butanol	326.01
acetonitrile	98.18
DMF	207.86
toluene	69.4
isobutanol	168.43
1,4-dioxane	489.88
methyl acetate	150.14
THF	688.11
2-butanone	184.43
n-pentanol	243.08
sec-butanol	239.92
n-hexane	45.68
ethylene glycol	43.95
NMP	172.63
cyclohexane	45.03
DMSO	194.03
n-butyl acetate	194.07
n-octanol	179.91
chloroform	206.2
n-propyl acetate	156.45
acetic acid	178.98
dichloromethane	139.1
cyclohexanone	211.56
propylene glycol	119.17
isopropyl acetate	153.72
DMAc	317.6
2-ethoxyethanol	379.65
isopentanol	229.79
n-heptane	43.28
ethyl formate	99.25
1,2-dichloroethane	81.78
n-hexanol	319.59
2-methoxyethanol	532.87
isobutyl acetate	126.18
tetrachloromethane	31.25
n-pentyl acetate	131.84
transcutol	1176.91
n-heptanol	162.46
ethylbenzene	53.97
MIBK	143.99
2-propoxyethanol	518.2
tert-butanol	286.99
MTBE	288.85
2-butoxyethanol	285.2
propionic acid	123.13
o-xylene	55.99
formic acid	90.11
diethyl ether	296.34
m-xylene	56.07
p-xylene	67.4
chlorobenzene	54.72
dimethyl carbonate	51.37
n-octane	15.81
formamide	99.04
cyclopentanone	168.48
2-pentanone	178.27
anisole	146.25
cyclopentyl methyl ether	245.99
gamma-butyrolactone	173.11
1-methoxy-2-propanol	415.83
pyridine	150.8
3-pentanone	126.28
furfural	162.0
n-dodecane	13.46
diethylene glycol	273.58
diisopropyl ether	94.87
tert-amyl alcohol	267.83
acetylacetone	149.2
n-hexadecane	14.82
acetophenone	112.98
methyl propionate	141.23
isopentyl acetate	196.04
trichloroethylene	134.55
n-nonanol	166.08
cyclohexanol	176.89
benzyl alcohol	104.75
2-ethylhexanol	181.08
isooctanol	122.55
dipropyl ether	224.81
1,2-dichlorobenzene	56.3
ethyl lactate	102.35
propylene carbonate	122.82
n-methylformamide	118.12
2-pentanol	195.25
n-pentane	36.87
1-propoxy-2-propanol	381.92
1-methoxy-2-propyl acetate	233.78
2-(2-methoxypropoxy) propanol	304.09
mesitylene	43.54
ε-caprolactone	225.99
p-cymene	50.09
epichlorohydrin	231.08
1,1,1-trichloroethane	80.1
2-aminoethanol	153.83
morpholine-4-carbaldehyde	359.79
sulfolane	169.99
2,2,4-trimethylpentane	24.41
2-methyltetrahydrofuran	359.91
n-hexyl acetate	229.66
isooctane	18.48
2-(2-butoxyethoxy)ethanol	423.83
sec-butyl acetate	136.19
tert-butyl acetate	187.96
decalin	28.88
glycerin	145.94
diglyme	619.5
acrylic acid	75.36
isopropyl myristate	93.96
n-butyric acid	219.59
acetyl acetate	102.06
di(2-ethylhexyl) phthalate	92.78
ethyl propionate	134.45
nitromethane	162.97
1,2-diethoxyethane	351.85
benzonitrile	85.53
trioctyl phosphate	66.4
1-bromopropane	91.41
gamma-valerolactone	355.64
n-decanol	115.73
triethyl phosphate	84.13
4-methyl-2-pentanol	132.0
propionitrile	103.94
vinylene carbonate	107.48
1,1,2-trichlorotrifluoroethane	181.64
DMS	108.05
cumene	47.43
2-octanol	107.02
2-hexanone	168.27
octyl acetate	118.99
limonene	80.84
1,2-dimethoxyethane	550.9
ethyl orthosilicate	99.09
tributyl phosphate	79.29
diacetone alcohol	220.22
N,N-dimethylaniline	115.3
acrylonitrile	81.07
aniline	95.78
1,3-propanediol	236.31
bromobenzene	47.45
dibromomethane	99.27
1,1,2,2-tetrachloroethane	145.69
2-methyl-cyclohexyl acetate	159.74
tetrabutyl urea	106.56
diisobutyl methanol	96.96
2-phenylethanol	143.94
styrene	54.36
dioctyl adipate	134.79
dimethyl sulfate	62.29
ethyl butyrate	163.34
methyl lactate	99.45
butyl lactate	137.48
diethyl carbonate	99.7
propanediol butyl ether	279.62
triethyl orthoformate	159.94
p-tert-butyltoluene	51.88
methyl 4-tert-butylbenzoate	152.9
morpholine	600.99
tert-butylamine	188.31
n-dodecanol	83.36
dimethoxymethane	281.43
ethylene carbonate	103.8
cyrene	175.8
2-ethoxyethyl acetate	186.99
2-ethylhexyl acetate	161.79
1,2,4-trichlorobenzene	73.56
4-methylpyridine	150.43
dibutyl ether	206.28
2,6-dimethyl-4-heptanol	96.96
DEF	197.25
dimethyl isosorbide	386.19
tetrachloroethylene	96.94
eugenol	152.58
triacetin	196.0
span 80	266.17
1,4-butanediol	96.65
1,1-dichloroethane	85.02
2-methyl-1-pentanol	199.97
methyl formate	69.1
2-methyl-1-butanol	201.55
n-decane	26.94
butyronitrile	151.21
3,7-dimethyl-1-octanol	160.79
1-chlorooctane	80.64
1-chlorotetradecane	31.88
n-nonane	25.15
undecane	18.15
tert-butylcyclohexane	33.11
cyclooctane	20.45
cyclopentanol	133.03
tetrahydropyran	443.11
tert-amyl methyl ether	232.67
2,5,8-trioxanonane	441.42
1-hexene	120.49
2-isopropoxyethanol	257.46
2,2,2-trifluoroethanol	37.92
methyl butyrate	166.93

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