Molecular formula
C6H9O2-

SMILES
CCC/C=C/C(=O)[O-]

Safety labels

Fragrance
Fruity	77.07%
Fatty	69.48%
Cheesy	57.35%
Green	54.11%
Dairy	46.6%
Sour	43.01%
Sweet	42.5%
Herbal	40.79%
Oily	39.18%
Caramellic	37.81%

 

Flavor
Fruity	65.8%
Sweet	63.2%
Herbal	54.09%
Spicy	32.81%
Fat	31.46%
Fatty	29.09%
Green	26.85%
Oily	25.45%
Dry	24.79%
Fruit	23.29%

 

Odor impact est.
High

XLogP3-AA
2.2

pKa est.
4.55 (weak acid)

Molecular weight
113.13 g/mol

Flash point

• 52.37 ˚C est.

• (2E)-hexenoate
• (E)-hex-2-enoate
• trans-2-hexenoate
• (2E)-hex-2-enoate
• BDBM36195
• CHEBI:87722
• AKOS015900534
• Q27159870
• (E)-hex-2-enoate

(2E)-hexenoate is an unsaturated aliphatic ester primarily used as a chemical intermediate and as a fragrance and flavor component in formulated products. In perfumery and cosmetics, it can function as an aroma ingredient or contribute to scent profiles; in flavor chemistry it may be used as a flavor ester or precursor in limited formulations. It can also serve as an intermediate in industrial manufacturing for the synthesis of specialty esters and polymer-related materials. In coatings, inks, and cleaning formulations, it can act as a solvent or processing aid, with suitability governed by regulatory constraints and formulation compatibility.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	412.38
methanol	566.58
isopropanol	240.44
water	1.41
ethyl acetate	404.93
n-propanol	245.67
acetone	653.61
n-butanol	280.57
acetonitrile	256.09
DMF	1576.8
toluene	73.71
isobutanol	170.73
1,4-dioxane	407.92
methyl acetate	369.63
THF	1050.58
2-butanone	402.04
n-pentanol	157.78
sec-butanol	197.78
n-hexane	16.66
ethylene glycol	160.48
NMP	1477.08
cyclohexane	19.52
DMSO	1474.47
n-butyl acetate	292.19
n-octanol	106.74
chloroform	272.75
n-propyl acetate	177.62
acetic acid	535.32
dichloromethane	412.97
cyclohexanone	532.94
propylene glycol	191.36
isopropyl acetate	245.2
DMAc	717.67
2-ethoxyethanol	265.09
isopentanol	234.26
n-heptane	14.38
ethyl formate	265.47
1,2-dichloroethane	398.85
n-hexanol	217.58
2-methoxyethanol	683.95
isobutyl acetate	101.35
tetrachloromethane	38.48
n-pentyl acetate	159.57
transcutol	1087.23
n-heptanol	90.74
ethylbenzene	51.82
MIBK	232.84
2-propoxyethanol	415.49
tert-butanol	299.95
MTBE	196.67
2-butoxyethanol	196.12
propionic acid	317.79
o-xylene	68.66
formic acid	254.01
diethyl ether	201.48
m-xylene	77.21
p-xylene	56.9
chlorobenzene	171.08
dimethyl carbonate	205.66
n-octane	6.89
formamide	395.22
cyclopentanone	867.76
2-pentanone	416.22
anisole	165.28
cyclopentyl methyl ether	355.34
gamma-butyrolactone	1030.12
1-methoxy-2-propanol	558.32
pyridine	353.05
3-pentanone	234.69
furfural	738.53
n-dodecane	8.05
diethylene glycol	390.0
diisopropyl ether	71.74
tert-amyl alcohol	236.07
acetylacetone	539.9
n-hexadecane	9.14
acetophenone	177.45
methyl propionate	386.43
isopentyl acetate	253.58
trichloroethylene	691.97
n-nonanol	92.22
cyclohexanol	214.67
benzyl alcohol	148.54
2-ethylhexanol	121.71
isooctanol	72.24
dipropyl ether	111.91
1,2-dichlorobenzene	184.13
ethyl lactate	124.1
propylene carbonate	526.45
n-methylformamide	580.08
2-pentanol	192.1
n-pentane	16.92
1-propoxy-2-propanol	314.88
1-methoxy-2-propyl acetate	357.17
2-(2-methoxypropoxy) propanol	247.1
mesitylene	58.38
ε-caprolactone	492.92
p-cymene	51.16
epichlorohydrin	910.46
1,1,1-trichloroethane	231.95
2-aminoethanol	237.69
morpholine-4-carbaldehyde	810.93
sulfolane	1345.93
2,2,4-trimethylpentane	13.14
2-methyltetrahydrofuran	566.79
n-hexyl acetate	249.86
isooctane	13.11
2-(2-butoxyethoxy)ethanol	366.49
sec-butyl acetate	126.62
tert-butyl acetate	302.67
decalin	18.16
glycerin	258.91
diglyme	527.07
acrylic acid	332.32
isopropyl myristate	94.8
n-butyric acid	427.88
acetyl acetate	269.12
di(2-ethylhexyl) phthalate	109.52
ethyl propionate	190.55
nitromethane	978.44
1,2-diethoxyethane	245.36
benzonitrile	186.6
trioctyl phosphate	83.96
1-bromopropane	156.72
gamma-valerolactone	945.92
n-decanol	73.34
triethyl phosphate	86.86
4-methyl-2-pentanol	119.14
propionitrile	193.34
vinylene carbonate	408.76
1,1,2-trichlorotrifluoroethane	467.32
DMS	253.04
cumene	42.78
2-octanol	70.54
2-hexanone	188.82
octyl acetate	132.08
limonene	86.42
1,2-dimethoxyethane	426.97
ethyl orthosilicate	78.88
tributyl phosphate	107.54
diacetone alcohol	451.22
N,N-dimethylaniline	118.89
acrylonitrile	294.54
aniline	146.75
1,3-propanediol	335.31
bromobenzene	157.64
dibromomethane	224.4
1,1,2,2-tetrachloroethane	484.01
2-methyl-cyclohexyl acetate	137.1
tetrabutyl urea	145.52
diisobutyl methanol	85.52
2-phenylethanol	173.07
styrene	64.6
dioctyl adipate	157.6
dimethyl sulfate	383.19
ethyl butyrate	176.91
methyl lactate	265.37
butyl lactate	162.73
diethyl carbonate	118.58
propanediol butyl ether	257.48
triethyl orthoformate	112.41
p-tert-butyltoluene	53.54
methyl 4-tert-butylbenzoate	194.5
morpholine	553.46
tert-butylamine	157.25
n-dodecanol	57.84
dimethoxymethane	595.0
ethylene carbonate	310.79
cyrene	233.94
2-ethoxyethyl acetate	262.79
2-ethylhexyl acetate	174.17
1,2,4-trichlorobenzene	215.24
4-methylpyridine	344.3
dibutyl ether	107.74
2,6-dimethyl-4-heptanol	85.52
DEF	517.56
dimethyl isosorbide	476.78
tetrachloroethylene	279.42
eugenol	199.64
triacetin	237.08
span 80	235.62
1,4-butanediol	118.11
1,1-dichloroethane	263.96
2-methyl-1-pentanol	153.44
methyl formate	436.51
2-methyl-1-butanol	196.47
n-decane	10.84
butyronitrile	234.67
3,7-dimethyl-1-octanol	113.45
1-chlorooctane	56.62
1-chlorotetradecane	27.39
n-nonane	9.71
undecane	9.29
tert-butylcyclohexane	17.67
cyclooctane	8.02
cyclopentanol	287.76
tetrahydropyran	364.92
tert-amyl methyl ether	172.11
2,5,8-trioxanonane	409.46
1-hexene	61.91
2-isopropoxyethanol	173.54
2,2,2-trifluoroethanol	162.64
methyl butyrate	252.71

Scent© AI