Molecular formula
C9H16O

SMILES
CC(=CC(=CCCO)C)C

Fragrance
Floral	69.57%
Green	66.77%
Citrus	60.44%
Sweet	59.31%
Fresh	53.52%
Lemon	50.48%
Rose	49.77%
Herbal	48.06%
Waxy	38.49%
Oily	35.43%

 

Flavor
Green	66.52%
Sweet	63.4%
Citrus	55.05%
Floral	54.27%
Herbal	42.41%
Lemon	40.1%
Fruity	37.36%
Rose	37.32%
Bitter	36.89%
Woody	36.22%

 

Odor impact est.
High

XLogP3-AA
2.8

pKa est.
10.2 (weak base)

Molecular weight
140.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
201°C

Flash point

• 86.27 ˚C est.

4,6-dimethylhepta-3,5-dien-1-ol is primarily regarded as a synthetic intermediate in fragrance and cosmetics, given its conjugated diene and alcohol functionality that enable transformations to more complex aroma compounds; in the perfumery and personal care sectors, it can be used as a fragrance ingredient and as a precursor for scent chemistry in perfumes and skincare products; in the food and flavor arena, it may be evaluated as an aroma precursor for the synthesis of flavor compounds; in industrial manufacturing, it can serve as an intermediate for the production of aroma chemicals and other specialty materials; in polymers or materials science, it may function as a building block for functional monomers or derivative synthesis depending on processing routes and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3638.26
methanol	4320.5
isopropanol	2996.43
water	3.73
ethyl acetate	1181.35
n-propanol	3168.5
acetone	2296.51
n-butanol	3310.88
acetonitrile	1422.73
DMF	1839.28
toluene	674.06
isobutanol	2065.24
1,4-dioxane	1941.13
methyl acetate	1099.15
THF	3177.79
2-butanone	1711.59
n-pentanol	1684.47
sec-butanol	2523.46
n-hexane	1016.93
ethylene glycol	638.52
NMP	1289.29
cyclohexane	728.09
DMSO	1807.95
n-butyl acetate	1084.93
n-octanol	682.34
chloroform	2094.6
n-propyl acetate	726.1
acetic acid	1244.74
dichloromethane	1557.06
cyclohexanone	1748.58
propylene glycol	989.29
isopropyl acetate	589.53
DMAc	962.52
2-ethoxyethanol	1370.48
isopentanol	2022.23
n-heptane	463.09
ethyl formate	713.98
1,2-dichloroethane	1124.8
n-hexanol	2352.26
2-methoxyethanol	2414.16
isobutyl acetate	413.54
tetrachloromethane	701.69
n-pentyl acetate	516.28
transcutol	2558.39
n-heptanol	730.68
ethylbenzene	319.76
MIBK	690.5
2-propoxyethanol	2125.36
tert-butanol	2929.79
MTBE	2064.98
2-butoxyethanol	886.89
propionic acid	1285.73
o-xylene	346.37
formic acid	490.08
diethyl ether	2528.42
m-xylene	433.53
p-xylene	338.84
chlorobenzene	576.95
dimethyl carbonate	272.54
n-octane	115.83
formamide	509.97
cyclopentanone	1826.8
2-pentanone	1574.54
anisole	531.25
cyclopentyl methyl ether	1786.21
gamma-butyrolactone	1421.28
1-methoxy-2-propanol	1762.17
pyridine	1160.66
3-pentanone	1044.07
furfural	957.8
n-dodecane	55.24
diethylene glycol	1099.06
diisopropyl ether	560.29
tert-amyl alcohol	2174.36
acetylacetone	703.99
n-hexadecane	61.56
acetophenone	378.81
methyl propionate	916.47
isopentyl acetate	804.3
trichloroethylene	1683.9
n-nonanol	496.79
cyclohexanol	1971.93
benzyl alcohol	464.04
2-ethylhexanol	1131.11
isooctanol	518.78
dipropyl ether	1201.58
1,2-dichlorobenzene	433.03
ethyl lactate	310.53
propylene carbonate	720.3
n-methylformamide	1156.31
2-pentanol	2033.78
n-pentane	863.32
1-propoxy-2-propanol	1482.43
1-methoxy-2-propyl acetate	668.32
2-(2-methoxypropoxy) propanol	511.58
mesitylene	249.74
ε-caprolactone	1195.72
p-cymene	245.97
epichlorohydrin	1534.49
1,1,1-trichloroethane	1295.88
2-aminoethanol	1360.54
morpholine-4-carbaldehyde	1199.82
sulfolane	1533.22
2,2,4-trimethylpentane	237.03
2-methyltetrahydrofuran	2809.32
n-hexyl acetate	775.12
isooctane	182.72
2-(2-butoxyethoxy)ethanol	798.14
sec-butyl acetate	423.58
tert-butyl acetate	662.9
decalin	198.8
glycerin	853.61
diglyme	1258.54
acrylic acid	848.76
isopropyl myristate	242.87
n-butyric acid	1697.72
acetyl acetate	385.58
di(2-ethylhexyl) phthalate	217.73
ethyl propionate	562.77
nitromethane	1231.2
1,2-diethoxyethane	1049.05
benzonitrile	542.23
trioctyl phosphate	201.71
1-bromopropane	1398.81
gamma-valerolactone	1592.14
n-decanol	343.3
triethyl phosphate	223.85
4-methyl-2-pentanol	728.75
propionitrile	1410.28
vinylene carbonate	583.18
1,1,2-trichlorotrifluoroethane	1116.15
DMS	334.77
cumene	205.04
2-octanol	475.42
2-hexanone	1001.31
octyl acetate	323.49
limonene	513.82
1,2-dimethoxyethane	1732.1
ethyl orthosilicate	271.47
tributyl phosphate	237.17
diacetone alcohol	873.56
N,N-dimethylaniline	327.58
acrylonitrile	1041.67
aniline	817.91
1,3-propanediol	1566.61
bromobenzene	549.25
dibromomethane	1429.86
1,1,2,2-tetrachloroethane	1487.69
2-methyl-cyclohexyl acetate	435.65
tetrabutyl urea	271.66
diisobutyl methanol	477.63
2-phenylethanol	547.95
styrene	368.88
dioctyl adipate	296.4
dimethyl sulfate	337.42
ethyl butyrate	591.8
methyl lactate	411.29
butyl lactate	419.77
diethyl carbonate	313.64
propanediol butyl ether	842.77
triethyl orthoformate	418.67
p-tert-butyltoluene	255.7
methyl 4-tert-butylbenzoate	365.29
morpholine	2700.84
tert-butylamine	2218.46
n-dodecanol	249.24
dimethoxymethane	1210.41
ethylene carbonate	561.72
cyrene	399.55
2-ethoxyethyl acetate	529.3
2-ethylhexyl acetate	661.75
1,2,4-trichlorobenzene	496.99
4-methylpyridine	1204.87
dibutyl ether	727.33
2,6-dimethyl-4-heptanol	477.63
DEF	1224.68
dimethyl isosorbide	681.51
tetrachloroethylene	1035.3
eugenol	364.35
triacetin	436.11
span 80	558.33
1,4-butanediol	678.28
1,1-dichloroethane	1511.13
2-methyl-1-pentanol	1172.54
methyl formate	721.79
2-methyl-1-butanol	2061.86
n-decane	119.22
butyronitrile	1703.3
3,7-dimethyl-1-octanol	598.68
1-chlorooctane	418.87
1-chlorotetradecane	120.85
n-nonane	144.12
undecane	76.29
tert-butylcyclohexane	233.86
cyclooctane	226.47
cyclopentanol	1755.71
tetrahydropyran	3189.0
tert-amyl methyl ether	1329.71
2,5,8-trioxanonane	727.39
1-hexene	1827.84
2-isopropoxyethanol	888.04
2,2,2-trifluoroethanol	340.19
methyl butyrate	794.7

Scent© AI