Molecular formula
C9H16O2

SMILES
CC/C=C/CC(C)OC(=O)C

Fragrance
Green	91.69%
Fruity	85.78%
Tropical	55.96%
Melon	51.48%
Apple	50.4%
Pear	47.86%
Fresh	45.88%
Vegetable	45.81%
Banana	40.91%
Fatty	40.12%

 

Flavor
Fruity	54.12%
Green	53.32%
Tropical	47.01%
Fresh	45.75%
Sweet	36.76%
Herbal	35.96%
Floral	35.35%
Oily	30.61%
Melon	26.76%
Citrus	26.26%

 

Odor impact est.
High

XLogP3-AA
2.3

pKa est.
8.73 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
175°C

Flash point

• 68.79 ˚C est.

• 4-Hepten-2-ol, (E)-, acetate
• QJMRCUOWTUQXIQ-AATRIKPKSA-N

4-Hepten-2-ol, (E)-acetate is commonly used as an odorant and fragrance fixative in perfumery, and serves as a synthetic intermediate in the industrial production of fragrance-related chemicals; in cosmetics and personal care, it may appear as a fragrance component or fragrance additive; in household products such as cleaners and air fresheners, it is used to impart or enhance aroma; in industrial manufacturing, it can serve as an intermediate for the synthesis of fragrance compounds and related materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1602.56
methanol	1819.68
isopropanol	1275.08
water	3.51
ethyl acetate	774.62
n-propanol	1143.35
acetone	1355.08
n-butanol	1090.39
acetonitrile	881.65
DMF	1706.33
toluene	460.51
isobutanol	849.17
1,4-dioxane	1520.37
methyl acetate	697.92
THF	2028.41
2-butanone	845.44
n-pentanol	733.98
sec-butanol	1081.99
n-hexane	387.94
ethylene glycol	369.57
NMP	1659.92
cyclohexane	367.11
DMSO	1628.27
n-butyl acetate	552.79
n-octanol	403.26
chloroform	2012.0
n-propyl acetate	375.2
acetic acid	1441.51
dichloromethane	1543.22
cyclohexanone	1373.49
propylene glycol	569.63
isopropyl acetate	499.47
DMAc	1448.9
2-ethoxyethanol	739.62
isopentanol	891.57
n-heptane	129.2
ethyl formate	427.64
1,2-dichloroethane	913.67
n-hexanol	883.18
2-methoxyethanol	1371.91
isobutyl acetate	267.16
tetrachloromethane	320.17
n-pentyl acetate	362.93
transcutol	2382.86
n-heptanol	279.89
ethylbenzene	248.67
MIBK	475.69
2-propoxyethanol	1065.74
tert-butanol	1472.76
MTBE	1035.38
2-butoxyethanol	431.63
propionic acid	919.84
o-xylene	296.61
formic acid	433.44
diethyl ether	1041.24
m-xylene	348.65
p-xylene	299.34
chlorobenzene	568.97
dimethyl carbonate	244.1
n-octane	46.78
formamide	431.99
cyclopentanone	1321.04
2-pentanone	802.23
anisole	445.06
cyclopentyl methyl ether	1099.0
gamma-butyrolactone	1397.16
1-methoxy-2-propanol	1124.64
pyridine	886.4
3-pentanone	573.41
furfural	956.46
n-dodecane	41.96
diethylene glycol	713.69
diisopropyl ether	303.79
tert-amyl alcohol	1199.32
acetylacetone	763.02
n-hexadecane	47.04
acetophenone	381.75
methyl propionate	603.48
isopentyl acetate	508.4
trichloroethylene	1488.54
n-nonanol	331.72
cyclohexanol	1132.96
benzyl alcohol	414.88
2-ethylhexanol	450.98
isooctanol	223.86
dipropyl ether	428.07
1,2-dichlorobenzene	455.44
ethyl lactate	221.4
propylene carbonate	709.59
n-methylformamide	709.7
2-pentanol	784.16
n-pentane	267.13
1-propoxy-2-propanol	705.49
1-methoxy-2-propyl acetate	533.56
2-(2-methoxypropoxy) propanol	558.21
mesitylene	220.05
ε-caprolactone	1075.53
p-cymene	154.93
epichlorohydrin	1264.71
1,1,1-trichloroethane	957.99
2-aminoethanol	698.27
morpholine-4-carbaldehyde	1325.9
sulfolane	1651.84
2,2,4-trimethylpentane	114.48
2-methyltetrahydrofuran	1622.5
n-hexyl acetate	680.21
isooctane	79.59
2-(2-butoxyethoxy)ethanol	736.66
sec-butyl acetate	293.74
tert-butyl acetate	577.99
decalin	153.79
glycerin	645.55
diglyme	1028.43
acrylic acid	710.76
isopropyl myristate	237.12
n-butyric acid	1081.68
acetyl acetate	470.5
di(2-ethylhexyl) phthalate	246.51
ethyl propionate	362.78
nitromethane	1327.77
1,2-diethoxyethane	689.52
benzonitrile	520.09
trioctyl phosphate	170.62
1-bromopropane	792.95
gamma-valerolactone	1445.37
n-decanol	239.6
triethyl phosphate	189.06
4-methyl-2-pentanol	385.97
propionitrile	684.09
vinylene carbonate	611.37
1,1,2-trichlorotrifluoroethane	959.72
DMS	418.0
cumene	180.32
2-octanol	226.29
2-hexanone	495.11
octyl acetate	311.81
limonene	301.77
1,2-dimethoxyethane	1111.82
ethyl orthosilicate	195.28
tributyl phosphate	229.9
diacetone alcohol	655.24
N,N-dimethylaniline	335.62
acrylonitrile	724.6
aniline	588.09
1,3-propanediol	806.05
bromobenzene	612.4
dibromomethane	1184.03
1,1,2,2-tetrachloroethane	1417.2
2-methyl-cyclohexyl acetate	344.1
tetrabutyl urea	300.1
diisobutyl methanol	217.93
2-phenylethanol	414.8
styrene	303.23
dioctyl adipate	347.93
dimethyl sulfate	433.78
ethyl butyrate	334.61
methyl lactate	365.69
butyl lactate	304.48
diethyl carbonate	232.53
propanediol butyl ether	591.75
triethyl orthoformate	256.18
p-tert-butyltoluene	159.16
methyl 4-tert-butylbenzoate	385.36
morpholine	1830.58
tert-butylamine	999.18
n-dodecanol	178.08
dimethoxymethane	834.27
ethylene carbonate	521.27
cyrene	444.9
2-ethoxyethyl acetate	467.7
2-ethylhexyl acetate	398.93
1,2,4-trichlorobenzene	545.15
4-methylpyridine	1015.2
dibutyl ether	464.5
2,6-dimethyl-4-heptanol	217.93
DEF	906.25
dimethyl isosorbide	777.4
tetrachloroethylene	835.89
eugenol	365.3
triacetin	549.14
span 80	537.89
1,4-butanediol	355.01
1,1-dichloroethane	1113.22
2-methyl-1-pentanol	653.15
methyl formate	480.37
2-methyl-1-butanol	875.78
n-decane	70.41
butyronitrile	807.59
3,7-dimethyl-1-octanol	403.36
1-chlorooctane	278.72
1-chlorotetradecane	105.46
n-nonane	75.75
undecane	52.29
tert-butylcyclohexane	147.37
cyclooctane	108.15
cyclopentanol	1124.17
tetrahydropyran	1695.38
tert-amyl methyl ether	781.7
2,5,8-trioxanonane	779.92
1-hexene	777.95
2-isopropoxyethanol	536.15
2,2,2-trifluoroethanol	333.35
methyl butyrate	475.09

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