Molecular formula
C10H16O2

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

Fragrance
Floral	76.29%
Green	75.95%
Fruity	69.62%
Citrus	68.83%
Sweet	68.25%
Herbal	66.15%
Woody	62.19%
Fresh	57.05%
Rose	54.74%
Waxy	45.23%

 

Flavor
Green	75.21%
Woody	55.83%
Sweet	40.63%
Dry	40.38%
Citrus	36.0%
Lemon	35.45%
Floral	34.63%
Herbal	31.67%
Spicy	29.24%
Weedy	28.46%

 

Odor impact est.
Medium

XLogP3-AA
3.1

pKa est.
8.95 (weak base)

Molecular weight
168.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Melting point expt.

• 21.00 °C. @ 760.00 mm Hg

Boiling point

• 250.00 °C. @ 760.00 mm Hg

Flash point

• 136.2 ˚C est.

• 3,7-Dimethyl-2,6-octadienoic acid
• Decaprenoic acid
• 3,7-Dimethylocta-2,6-dienoate
• Geranic acid (6CI)
• CHEMBL3182124
• ZHYZQXUYZJNEHD-UHFFFAOYSA-N
• AKOS028108459
• NS00012491
• NS00080777
• F19915

3,7-Dimethyl-2,6-octadienoic acid is an unsaturated carboxylic acid commonly used as a chemical intermediate and building block in specialty polymers (such as polyesters and polyurethanes) and resin systems, where it may serve as a monomer or a precursor to plasticizers. In fragrance and flavor chemistry, it is often used as a precursor for odor-active compounds and aroma esters, with potential applications in cosmetics and perfumery. In cosmetics and personal care, it may function as a fragrance ingredient or synthesis intermediate for formulations. In coatings and inks, it can be employed as a resin modifier or crosslinking precursor to enhance film-forming properties. It may also be evaluated as an intermediate in pharmaceutical or agrochemical synthesis, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	529.06
methanol	591.04
isopropanol	379.96
water	1.38
ethyl acetate	112.78
n-propanol	317.56
acetone	192.73
n-butanol	308.13
acetonitrile	96.9
DMF	327.68
toluene	32.63
isobutanol	214.24
1,4-dioxane	351.42
methyl acetate	94.33
THF	589.12
2-butanone	131.95
n-pentanol	211.57
sec-butanol	243.83
n-hexane	37.25
ethylene glycol	98.33
NMP	239.28
cyclohexane	18.11
DMSO	236.39
n-butyl acetate	120.94
n-octanol	123.2
chloroform	115.01
n-propyl acetate	77.68
acetic acid	225.9
dichloromethane	67.81
cyclohexanone	195.44
propylene glycol	244.83
isopropyl acetate	87.48
DMAc	203.95
2-ethoxyethanol	241.16
isopentanol	233.09
n-heptane	19.41
ethyl formate	76.03
1,2-dichloroethane	56.19
n-hexanol	334.15
2-methoxyethanol	452.65
isobutyl acetate	68.9
tetrachloromethane	19.53
n-pentyl acetate	72.14
transcutol	564.5
n-heptanol	134.83
ethylbenzene	29.26
MIBK	111.03
2-propoxyethanol	384.41
tert-butanol	457.14
MTBE	176.82
2-butoxyethanol	191.13
propionic acid	160.85
o-xylene	31.8
formic acid	103.85
diethyl ether	137.45
m-xylene	48.57
p-xylene	37.17
chlorobenzene	35.81
dimethyl carbonate	33.69
n-octane	7.72
formamide	101.72
cyclopentanone	237.87
2-pentanone	132.5
anisole	83.1
cyclopentyl methyl ether	193.99
gamma-butyrolactone	237.39
1-methoxy-2-propanol	389.62
pyridine	98.93
3-pentanone	71.65
furfural	164.79
n-dodecane	6.37
diethylene glycol	253.24
diisopropyl ether	52.98
tert-amyl alcohol	289.33
acetylacetone	125.53
n-hexadecane	6.97
acetophenone	67.55
methyl propionate	90.07
isopentyl acetate	120.39
trichloroethylene	99.52
n-nonanol	106.9
cyclohexanol	200.44
benzyl alcohol	87.93
2-ethylhexanol	142.97
isooctanol	101.99
dipropyl ether	102.66
1,2-dichlorobenzene	36.97
ethyl lactate	67.77
propylene carbonate	127.17
n-methylformamide	153.78
2-pentanol	216.61
n-pentane	22.5
1-propoxy-2-propanol	280.07
1-methoxy-2-propyl acetate	141.48
2-(2-methoxypropoxy) propanol	167.16
mesitylene	35.73
ε-caprolactone	164.15
p-cymene	31.78
epichlorohydrin	206.81
1,1,1-trichloroethane	55.8
2-aminoethanol	247.34
morpholine-4-carbaldehyde	277.28
sulfolane	243.76
2,2,4-trimethylpentane	14.31
2-methyltetrahydrofuran	322.78
n-hexyl acetate	128.52
isooctane	15.27
2-(2-butoxyethoxy)ethanol	246.58
sec-butyl acetate	64.44
tert-butyl acetate	125.55
decalin	13.54
glycerin	230.23
diglyme	283.41
acrylic acid	101.17
isopropyl myristate	55.5
n-butyric acid	226.96
acetyl acetate	57.2
di(2-ethylhexyl) phthalate	58.0
ethyl propionate	70.24
nitromethane	168.22
1,2-diethoxyethane	137.43
benzonitrile	67.5
trioctyl phosphate	49.55
1-bromopropane	46.53
gamma-valerolactone	307.85
n-decanol	81.14
triethyl phosphate	45.18
4-methyl-2-pentanol	130.73
propionitrile	92.58
vinylene carbonate	90.76
1,1,2-trichlorotrifluoroethane	170.77
DMS	61.3
cumene	29.69
2-octanol	87.31
2-hexanone	107.34
octyl acetate	74.29
limonene	51.62
1,2-dimethoxyethane	292.81
ethyl orthosilicate	48.86
tributyl phosphate	56.41
diacetone alcohol	221.02
N,N-dimethylaniline	66.76
acrylonitrile	83.25
aniline	83.47
1,3-propanediol	296.21
bromobenzene	26.51
dibromomethane	53.44
1,1,2,2-tetrachloroethane	109.91
2-methyl-cyclohexyl acetate	87.94
tetrabutyl urea	71.99
diisobutyl methanol	75.46
2-phenylethanol	119.32
styrene	27.72
dioctyl adipate	75.33
dimethyl sulfate	51.93
ethyl butyrate	78.81
methyl lactate	85.4
butyl lactate	90.19
diethyl carbonate	49.32
propanediol butyl ether	213.47
triethyl orthoformate	67.11
p-tert-butyltoluene	34.57
methyl 4-tert-butylbenzoate	101.09
morpholine	491.4
tert-butylamine	257.68
n-dodecanol	60.36
dimethoxymethane	192.13
ethylene carbonate	82.73
cyrene	130.86
2-ethoxyethyl acetate	92.36
2-ethylhexyl acetate	89.21
1,2,4-trichlorobenzene	46.84
4-methylpyridine	113.53
dibutyl ether	80.63
2,6-dimethyl-4-heptanol	75.46
DEF	122.61
dimethyl isosorbide	241.65
tetrachloroethylene	66.42
eugenol	108.22
triacetin	92.16
span 80	178.03
1,4-butanediol	117.1
1,1-dichloroethane	66.1
2-methyl-1-pentanol	174.07
methyl formate	88.59
2-methyl-1-butanol	196.22
n-decane	10.51
butyronitrile	138.58
3,7-dimethyl-1-octanol	111.04
1-chlorooctane	43.27
1-chlorotetradecane	18.23
n-nonane	10.2
undecane	8.02
tert-butylcyclohexane	18.72
cyclooctane	7.51
cyclopentanol	244.98
tetrahydropyran	306.38
tert-amyl methyl ether	132.17
2,5,8-trioxanonane	226.65
1-hexene	94.88
2-isopropoxyethanol	171.12
2,2,2-trifluoroethanol	50.33
methyl butyrate	91.31

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