Molecular formula
C13H20O3

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

Fragrance
Floral	75.84%
Sweet	69.49%
Fruity	65.8%
Woody	61.0%
Rose	52.4%
Citrus	50.1%
Fresh	46.29%
Bergamot	42.91%
Herbal	42.28%
Green	42.25%

 

Flavor
Fruity	55.29%
Woody	47.96%
Bergamot	47.47%
Sweet	41.79%
Herbal	37.73%
Lavender	33.07%
Berry	32.58%
Green	28.56%
Dry	25.05%
Rose	24.68%

 

Odor impact est.
High

XLogP3-AA
3.2

pKa est.
8.46 (weak base)

Molecular weight
224.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
268°C

Flash point

• 112.74 ˚C est.

3,7-Dimethylocta-1,6-dien-3-yl 2-oxopropanoate is primarily used as an intermediate in organic synthesis, serving as a building block for fragrance and flavor compound development, as a pharmaceutical synthesis intermediate, as a reactive ester in polymer and materials chemistry for grafting or formulation tuning, and as a specialty additive in coatings and inks. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	538.3
methanol	541.02
isopropanol	486.86
water	0.2
ethyl acetate	466.7
n-propanol	442.26
acetone	392.16
n-butanol	445.83
acetonitrile	185.1
DMF	610.39
toluene	353.45
isobutanol	379.87
1,4-dioxane	761.49
methyl acetate	381.58
THF	1004.04
2-butanone	519.99
n-pentanol	394.77
sec-butanol	575.43
n-hexane	48.23
ethylene glycol	37.56
NMP	544.61
cyclohexane	79.63
DMSO	318.42
n-butyl acetate	412.99
n-octanol	195.25
chloroform	819.04
n-propyl acetate	285.4
acetic acid	220.55
dichloromethane	626.52
cyclohexanone	656.27
propylene glycol	112.32
isopropyl acetate	329.7
DMAc	725.75
2-ethoxyethanol	398.01
isopentanol	443.4
n-heptane	22.04
ethyl formate	221.73
1,2-dichloroethane	407.52
n-hexanol	474.56
2-methoxyethanol	495.41
isobutyl acetate	218.39
tetrachloromethane	94.77
n-pentyl acetate	230.71
transcutol	959.03
n-heptanol	178.87
ethylbenzene	238.83
MIBK	296.5
2-propoxyethanol	529.69
tert-butanol	700.96
MTBE	636.09
2-butoxyethanol	270.07
propionic acid	198.24
o-xylene	241.97
formic acid	64.13
diethyl ether	391.27
m-xylene	258.98
p-xylene	307.12
chlorobenzene	302.51
dimethyl carbonate	108.08
n-octane	17.19
formamide	100.89
cyclopentanone	571.43
2-pentanone	411.42
anisole	380.7
cyclopentyl methyl ether	443.48
gamma-butyrolactone	531.45
1-methoxy-2-propanol	462.14
pyridine	462.79
3-pentanone	287.04
furfural	430.0
n-dodecane	17.28
diethylene glycol	282.73
diisopropyl ether	144.33
tert-amyl alcohol	747.15
acetylacetone	381.93
n-hexadecane	19.94
acetophenone	313.36
methyl propionate	302.84
isopentyl acetate	409.01
trichloroethylene	770.15
n-nonanol	173.52
cyclohexanol	446.74
benzyl alcohol	291.73
2-ethylhexanol	251.77
isooctanol	151.47
dipropyl ether	173.93
1,2-dichlorobenzene	272.34
ethyl lactate	130.58
propylene carbonate	333.74
n-methylformamide	190.74
2-pentanol	387.79
n-pentane	37.84
1-propoxy-2-propanol	373.89
1-methoxy-2-propyl acetate	347.05
2-(2-methoxypropoxy) propanol	312.6
mesitylene	153.21
ε-caprolactone	580.84
p-cymene	124.57
epichlorohydrin	659.55
1,1,1-trichloroethane	462.4
2-aminoethanol	131.14
morpholine-4-carbaldehyde	589.54
sulfolane	481.02
2,2,4-trimethylpentane	44.46
2-methyltetrahydrofuran	832.4
n-hexyl acetate	357.98
isooctane	29.66
2-(2-butoxyethoxy)ethanol	383.28
sec-butyl acetate	254.78
tert-butyl acetate	366.93
decalin	64.41
glycerin	124.24
diglyme	601.95
acrylic acid	127.22
isopropyl myristate	145.21
n-butyric acid	357.08
acetyl acetate	245.37
di(2-ethylhexyl) phthalate	144.64
ethyl propionate	251.88
nitromethane	303.94
1,2-diethoxyethane	382.86
benzonitrile	267.27
trioctyl phosphate	102.13
1-bromopropane	338.48
gamma-valerolactone	687.12
n-decanol	128.05
triethyl phosphate	123.55
4-methyl-2-pentanol	230.5
propionitrile	234.35
vinylene carbonate	274.96
1,1,2-trichlorotrifluoroethane	344.9
DMS	229.6
cumene	152.99
2-octanol	151.66
2-hexanone	327.61
octyl acetate	184.61
limonene	185.82
1,2-dimethoxyethane	634.7
ethyl orthosilicate	129.35
tributyl phosphate	125.22
diacetone alcohol	397.82
N,N-dimethylaniline	273.94
acrylonitrile	210.43
aniline	294.54
1,3-propanediol	242.71
bromobenzene	325.72
dibromomethane	474.4
1,1,2,2-tetrachloroethane	712.64
2-methyl-cyclohexyl acetate	256.1
tetrabutyl urea	154.14
diisobutyl methanol	134.43
2-phenylethanol	321.63
styrene	251.27
dioctyl adipate	198.66
dimethyl sulfate	150.13
ethyl butyrate	258.03
methyl lactate	128.64
butyl lactate	178.57
diethyl carbonate	165.41
propanediol butyl ether	268.81
triethyl orthoformate	174.27
p-tert-butyltoluene	123.41
methyl 4-tert-butylbenzoate	269.44
morpholine	899.99
tert-butylamine	422.92
n-dodecanol	96.39
dimethoxymethane	385.52
ethylene carbonate	239.43
cyrene	267.34
2-ethoxyethyl acetate	291.2
2-ethylhexyl acetate	328.76
1,2,4-trichlorobenzene	328.98
4-methylpyridine	622.13
dibutyl ether	200.18
2,6-dimethyl-4-heptanol	134.43
DEF	420.25
dimethyl isosorbide	473.69
tetrachloroethylene	377.32
eugenol	255.83
triacetin	279.65
span 80	266.35
1,4-butanediol	114.63
1,1-dichloroethane	480.76
2-methyl-1-pentanol	415.66
methyl formate	143.41
2-methyl-1-butanol	431.82
n-decane	28.04
butyronitrile	311.78
3,7-dimethyl-1-octanol	216.47
1-chlorooctane	128.37
1-chlorotetradecane	54.95
n-nonane	25.1
undecane	21.47
tert-butylcyclohexane	62.19
cyclooctane	25.56
cyclopentanol	364.28
tetrahydropyran	794.84
tert-amyl methyl ether	474.67
2,5,8-trioxanonane	434.58
1-hexene	223.83
2-isopropoxyethanol	326.59
2,2,2-trifluoroethanol	60.14
methyl butyrate	341.39

Scent© AI