Molecular formula
C6H10O

SMILES
CCC=CC=CO

Fragrance
Green	85.51%
Pungent	48.08%
Fruity	42.28%
Vegetable	39.8%
Fresh	36.59%
Leafy	35.85%
Sharp	33.49%
Radish	30.51%
Apple	27.87%
Fatty	26.18%

 

Flavor
Green	77.61%
Fatty	50.25%
Sweet	45.19%
Vegetable	38.47%
Fruity	34.8%
Citrus	33.89%
Fat	33.62%
Grassy	33.19%
Spicy	32.99%
Fresh	32.2%

 

Odor impact est.
High

XLogP3-AA
1.8

pKa est.
8.92 (weak base)

Molecular weight
98.14 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
156°C

Flash point

• 75.32 ˚C est.

• 1,3-Hexadien-1-ol
• hexa-1,3-dien-1-ol
• ZVSONHCDFQDFNN-UHFFFAOYSA-N
• NS00053801

1,3-Hexadien-1-ol is primarily employed as a fragrance intermediate and odor precursor for aroma compounds in perfumery and flavor applications. It also serves as a building block for derivatives used in cosmetics and personal care. In the polymers/plastics sector, it can function as a monomer or a precursor for polymer systems; in coatings and inks, it may be used as a reactive monomer or functional component for paints and printing inks. Additionally, it is encountered as an intermediate in the synthesis of specialty chemicals in industrial manufacturing and can participate in various chemical transformations under appropriate formulation and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1320.52
methanol	832.16
isopropanol	984.48
water	0.79
ethyl acetate	448.29
n-propanol	932.01
acetone	802.7
n-butanol	915.42
acetonitrile	382.68
DMF	1071.86
toluene	93.61
isobutanol	613.92
1,4-dioxane	623.87
methyl acetate	375.84
THF	1287.85
2-butanone	496.65
n-pentanol	424.56
sec-butanol	627.81
n-hexane	67.58
ethylene glycol	249.47
NMP	694.41
cyclohexane	94.48
DMSO	1778.62
n-butyl acetate	520.63
n-octanol	195.38
chloroform	652.47
n-propyl acetate	247.49
acetic acid	736.04
dichloromethane	843.86
cyclohexanone	730.39
propylene glycol	327.65
isopropyl acetate	209.33
DMAc	345.2
2-ethoxyethanol	368.21
isopentanol	554.46
n-heptane	120.09
ethyl formate	351.98
1,2-dichloroethane	485.51
n-hexanol	715.97
2-methoxyethanol	896.24
isobutyl acetate	138.73
tetrachloromethane	127.24
n-pentyl acetate	173.14
transcutol	974.13
n-heptanol	212.9
ethylbenzene	54.63
MIBK	222.04
2-propoxyethanol	687.74
tert-butanol	772.83
MTBE	344.64
2-butoxyethanol	295.01
propionic acid	574.11
o-xylene	65.59
formic acid	165.76
diethyl ether	394.73
m-xylene	81.94
p-xylene	66.47
chlorobenzene	178.06
dimethyl carbonate	102.5
n-octane	26.78
formamide	229.22
cyclopentanone	909.99
2-pentanone	503.96
anisole	136.11
cyclopentyl methyl ether	480.27
gamma-butyrolactone	952.19
1-methoxy-2-propanol	693.67
pyridine	427.84
3-pentanone	245.41
furfural	565.84
n-dodecane	19.82
diethylene glycol	453.58
diisopropyl ether	99.69
tert-amyl alcohol	459.88
acetylacetone	356.96
n-hexadecane	21.34
acetophenone	135.23
methyl propionate	326.12
isopentyl acetate	344.17
trichloroethylene	783.88
n-nonanol	155.95
cyclohexanol	509.28
benzyl alcohol	147.1
2-ethylhexanol	334.2
isooctanol	151.47
dipropyl ether	388.27
1,2-dichlorobenzene	154.47
ethyl lactate	125.89
propylene carbonate	434.47
n-methylformamide	547.67
2-pentanol	493.96
n-pentane	85.09
1-propoxy-2-propanol	556.1
1-methoxy-2-propyl acetate	318.6
2-(2-methoxypropoxy) propanol	221.86
mesitylene	56.75
ε-caprolactone	503.35
p-cymene	79.03
epichlorohydrin	870.3
1,1,1-trichloroethane	381.1
2-aminoethanol	470.47
morpholine-4-carbaldehyde	568.13
sulfolane	1113.57
2,2,4-trimethylpentane	31.43
2-methyltetrahydrofuran	915.27
n-hexyl acetate	239.83
isooctane	33.5
2-(2-butoxyethoxy)ethanol	337.91
sec-butyl acetate	126.64
tert-butyl acetate	203.15
decalin	33.32
glycerin	343.0
diglyme	532.33
acrylic acid	370.31
isopropyl myristate	96.23
n-butyric acid	840.85
acetyl acetate	174.54
di(2-ethylhexyl) phthalate	94.62
ethyl propionate	179.93
nitromethane	749.49
1,2-diethoxyethane	330.96
benzonitrile	206.57
trioctyl phosphate	91.63
1-bromopropane	378.44
gamma-valerolactone	856.45
n-decanol	120.26
triethyl phosphate	95.73
4-methyl-2-pentanol	195.67
propionitrile	360.55
vinylene carbonate	327.58
1,1,2-trichlorotrifluoroethane	483.99
DMS	138.23
cumene	47.27
2-octanol	127.05
2-hexanone	275.8
octyl acetate	127.56
limonene	155.97
1,2-dimethoxyethane	527.28
ethyl orthosilicate	96.2
tributyl phosphate	100.13
diacetone alcohol	329.61
N,N-dimethylaniline	93.25
acrylonitrile	383.08
aniline	198.48
1,3-propanediol	665.42
bromobenzene	170.5
dibromomethane	556.96
1,1,2,2-tetrachloroethane	541.93
2-methyl-cyclohexyl acetate	173.11
tetrabutyl urea	138.8
diisobutyl methanol	164.05
2-phenylethanol	204.06
styrene	73.89
dioctyl adipate	145.0
dimethyl sulfate	178.03
ethyl butyrate	304.02
methyl lactate	181.81
butyl lactate	166.41
diethyl carbonate	151.19
propanediol butyl ether	302.14
triethyl orthoformate	175.39
p-tert-butyltoluene	77.41
methyl 4-tert-butylbenzoate	152.35
morpholine	904.17
tert-butylamine	474.5
n-dodecanol	95.65
dimethoxymethane	471.5
ethylene carbonate	280.65
cyrene	182.99
2-ethoxyethyl acetate	197.25
2-ethylhexyl acetate	249.65
1,2,4-trichlorobenzene	179.13
4-methylpyridine	352.85
dibutyl ether	195.17
2,6-dimethyl-4-heptanol	164.05
DEF	442.36
dimethyl isosorbide	343.67
tetrachloroethylene	342.66
eugenol	170.79
triacetin	164.14
span 80	278.96
1,4-butanediol	207.22
1,1-dichloroethane	504.13
2-methyl-1-pentanol	273.85
methyl formate	334.36
2-methyl-1-butanol	493.48
n-decane	30.76
butyronitrile	513.86
3,7-dimethyl-1-octanol	167.26
1-chlorooctane	106.53
1-chlorotetradecane	45.36
n-nonane	32.35
undecane	23.94
tert-butylcyclohexane	36.51
cyclooctane	29.86
cyclopentanol	741.66
tetrahydropyran	815.15
tert-amyl methyl ether	217.64
2,5,8-trioxanonane	375.59
1-hexene	205.49
2-isopropoxyethanol	232.55
2,2,2-trifluoroethanol	136.36
methyl butyrate	286.3

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