Molecular formula
C8H14O2

SMILES
CC(C)CC=COC(=O)C

Fragrance
Fruity	95.8%
Green	80.56%
Apple	62.4%
Tropical	53.39%
Sweet	51.88%
Banana	50.2%
Pineapple	47.83%
Fresh	43.27%
Ethereal	41.65%
Pear	39.15%

 

Flavor
Fruity	51.71%
Sweet	43.02%
Tropical	40.18%
Green	36.63%
Floral	36.61%
Herbal	28.67%
Fruit	27.14%
Fresh	27.03%
Woody	26.96%
Oily	23.68%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
8.44 (weak base)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
162°C

Flash point

• 55.38 ˚C est.

• i-hexenol acetate

i-Hexenol acetate is primarily used as a fragrance ingredient in perfumery and cosmetics, providing a light, volatile aroma note; it is often evaluated for fragrance and flavor applications in food processing; it serves as an intermediate or building block in fragrance chemistry for industrial manufacturing; and it is employed in household products to impart a subtle, long-lasting scent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	664.05
methanol	817.98
isopropanol	468.15
water	3.12
ethyl acetate	264.45
n-propanol	464.45
acetone	559.96
n-butanol	422.71
acetonitrile	231.93
DMF	1074.67
toluene	163.18
isobutanol	330.6
1,4-dioxane	543.19
methyl acetate	311.24
THF	796.52
2-butanone	404.52
n-pentanol	283.21
sec-butanol	398.72
n-hexane	92.99
ethylene glycol	216.09
NMP	821.07
cyclohexane	59.9
DMSO	741.39
n-butyl acetate	235.71
n-octanol	135.97
chloroform	756.27
n-propyl acetate	174.35
acetic acid	599.16
dichloromethane	474.44
cyclohexanone	467.77
propylene glycol	336.15
isopropyl acetate	187.89
DMAc	942.91
2-ethoxyethanol	380.32
isopentanol	372.73
n-heptane	23.07
ethyl formate	200.23
1,2-dichloroethane	358.94
n-hexanol	322.26
2-methoxyethanol	682.95
isobutyl acetate	131.07
tetrachloromethane	133.52
n-pentyl acetate	127.21
transcutol	1151.04
n-heptanol	112.4
ethylbenzene	104.67
MIBK	203.36
2-propoxyethanol	504.7
tert-butanol	566.75
MTBE	421.85
2-butoxyethanol	229.78
propionic acid	410.72
o-xylene	115.47
formic acid	290.06
diethyl ether	294.73
m-xylene	127.02
p-xylene	127.59
chlorobenzene	220.53
dimethyl carbonate	118.62
n-octane	9.26
formamide	264.07
cyclopentanone	569.01
2-pentanone	306.51
anisole	227.39
cyclopentyl methyl ether	361.32
gamma-butyrolactone	547.29
1-methoxy-2-propanol	512.08
pyridine	390.42
3-pentanone	216.66
furfural	500.36
n-dodecane	7.08
diethylene glycol	404.75
diisopropyl ether	93.08
tert-amyl alcohol	480.86
acetylacetone	308.58
n-hexadecane	8.08
acetophenone	202.72
methyl propionate	243.73
isopentyl acetate	235.21
trichloroethylene	736.64
n-nonanol	110.93
cyclohexanol	345.59
benzyl alcohol	206.96
2-ethylhexanol	165.07
isooctanol	88.14
dipropyl ether	130.35
1,2-dichlorobenzene	198.66
ethyl lactate	126.57
propylene carbonate	313.55
n-methylformamide	412.82
2-pentanol	265.96
n-pentane	57.17
1-propoxy-2-propanol	324.16
1-methoxy-2-propyl acetate	259.08
2-(2-methoxypropoxy) propanol	284.19
mesitylene	80.87
ε-caprolactone	409.45
p-cymene	60.49
epichlorohydrin	551.01
1,1,1-trichloroethane	396.17
2-aminoethanol	386.07
morpholine-4-carbaldehyde	670.63
sulfolane	733.82
2,2,4-trimethylpentane	34.6
2-methyltetrahydrofuran	572.95
n-hexyl acetate	233.17
isooctane	23.11
2-(2-butoxyethoxy)ethanol	382.32
sec-butyl acetate	143.62
tert-butyl acetate	248.71
decalin	41.56
glycerin	372.3
diglyme	534.31
acrylic acid	384.36
isopropyl myristate	77.62
n-butyric acid	417.63
acetyl acetate	177.19
di(2-ethylhexyl) phthalate	107.86
ethyl propionate	163.11
nitromethane	587.55
1,2-diethoxyethane	250.96
benzonitrile	208.75
trioctyl phosphate	66.55
1-bromopropane	255.99
gamma-valerolactone	646.45
n-decanol	76.62
triethyl phosphate	81.24
4-methyl-2-pentanol	159.04
propionitrile	226.72
vinylene carbonate	274.73
1,1,2-trichlorotrifluoroethane	635.75
DMS	196.5
cumene	76.05
2-octanol	74.15
2-hexanone	229.55
octyl acetate	103.77
limonene	97.11
1,2-dimethoxyethane	552.51
ethyl orthosilicate	86.05
tributyl phosphate	92.42
diacetone alcohol	357.89
N,N-dimethylaniline	170.88
acrylonitrile	281.73
aniline	274.13
1,3-propanediol	414.78
bromobenzene	203.07
dibromomethane	370.39
1,1,2,2-tetrachloroethane	712.26
2-methyl-cyclohexyl acetate	147.07
tetrabutyl urea	119.87
diisobutyl methanol	85.3
2-phenylethanol	210.2
styrene	135.47
dioctyl adipate	128.91
dimethyl sulfate	216.11
ethyl butyrate	135.28
methyl lactate	202.29
butyl lactate	152.92
diethyl carbonate	98.99
propanediol butyl ether	315.87
triethyl orthoformate	113.6
p-tert-butyltoluene	64.92
methyl 4-tert-butylbenzoate	175.69
morpholine	725.93
tert-butylamine	356.8
n-dodecanol	55.27
dimethoxymethane	364.27
ethylene carbonate	224.59
cyrene	248.5
2-ethoxyethyl acetate	196.5
2-ethylhexyl acetate	183.41
1,2,4-trichlorobenzene	270.12
4-methylpyridine	426.84
dibutyl ether	122.92
2,6-dimethyl-4-heptanol	85.3
DEF	390.78
dimethyl isosorbide	346.48
tetrachloroethylene	443.37
eugenol	190.15
triacetin	213.65
span 80	262.42
1,4-butanediol	181.1
1,1-dichloroethane	402.47
2-methyl-1-pentanol	268.81
methyl formate	277.97
2-methyl-1-butanol	340.33
n-decane	13.3
butyronitrile	252.35
3,7-dimethyl-1-octanol	148.64
1-chlorooctane	68.97
1-chlorotetradecane	23.89
n-nonane	13.41
undecane	9.31
tert-butylcyclohexane	42.95
cyclooctane	20.99
cyclopentanol	369.55
tetrahydropyran	501.77
tert-amyl methyl ether	322.03
2,5,8-trioxanonane	376.46
1-hexene	226.74
2-isopropoxyethanol	264.32
2,2,2-trifluoroethanol	201.29
methyl butyrate	228.08

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