Molecular formula
C8H16O2

SMILES
CC(C)CCCOC(=O)C

Fragrance
Fruity	97.37%
Sweet	82.11%
Banana	67.59%
Apple	55.91%
Ethereal	50.78%
Pear	47.95%
Pineapple	43.32%
Herbal	40.05%
Green	39.33%
Ripe	38.21%

 

Flavor
Fruity	60.52%
Bitter	57.85%
Banana	57.47%
Sweet	55.88%
Fruit	44.36%
Tropical	39.31%
Herbal	39.09%
Green	38.9%
Ethereal	38.25%
Apple	33.99%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
8.74 (weak base)

Molecular weight
144.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
163°C

Flash point

• 56.13 ˚C est.

• isohexyl acetate
• i-Hexylacetat
• Acetic acid, isohexyl ester
• SCHEMBL126613
• BYLYLPGUVRQSIO-UHFFFAOYSA-N
• AKOS006238549

Isohexyl acetate is an ester of isohexanol and acetic acid and is commonly used as a fragrance ingredient and solvent. In practice, it is employed as a fragrance component in the fragrance and cosmetics industries; as a solvent for coatings, inks, and adhesives; as a processing aid and additive for plastics and polymers; may be used as a fragrance or solvent component in household products such as glass cleaners and cleaners; and as an industrial intermediate or processing solvent in manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2164.83
methanol	2964.23
isopropanol	1419.18
water	9.07
ethyl acetate	711.81
n-propanol	1360.44
acetone	1470.52
n-butanol	1156.28
acetonitrile	740.97
DMF	1786.62
toluene	355.0
isobutanol	884.95
1,4-dioxane	1446.2
methyl acetate	749.62
THF	1747.45
2-butanone	959.71
n-pentanol	719.79
sec-butanol	1085.02
n-hexane	249.96
ethylene glycol	564.92
NMP	1381.2
cyclohexane	195.61
DMSO	1458.55
n-butyl acetate	611.18
n-octanol	289.91
chloroform	1976.07
n-propyl acetate	434.79
acetic acid	2047.15
dichloromethane	1197.68
cyclohexanone	1176.76
propylene glycol	769.32
isopropyl acetate	475.77
DMAc	1414.86
2-ethoxyethanol	966.3
isopentanol	914.09
n-heptane	57.96
ethyl formate	546.79
1,2-dichloroethane	866.61
n-hexanol	748.22
2-methoxyethanol	1754.57
isobutyl acetate	305.35
tetrachloromethane	438.11
n-pentyl acetate	312.0
transcutol	2606.65
n-heptanol	254.59
ethylbenzene	207.42
MIBK	417.57
2-propoxyethanol	1167.34
tert-butanol	1493.46
MTBE	1027.5
2-butoxyethanol	503.08
propionic acid	1134.09
o-xylene	234.33
formic acid	956.79
diethyl ether	838.21
m-xylene	244.49
p-xylene	261.02
chlorobenzene	528.77
dimethyl carbonate	201.12
n-octane	20.7
formamide	843.36
cyclopentanone	1221.77
2-pentanone	708.26
anisole	429.99
cyclopentyl methyl ether	795.96
gamma-butyrolactone	1188.2
1-methoxy-2-propanol	1158.55
pyridine	1014.06
3-pentanone	476.88
furfural	1079.04
n-dodecane	14.75
diethylene glycol	914.7
diisopropyl ether	214.78
tert-amyl alcohol	1164.59
acetylacetone	665.98
n-hexadecane	16.77
acetophenone	383.92
methyl propionate	513.8
isopentyl acetate	554.62
trichloroethylene	1673.99
n-nonanol	236.87
cyclohexanol	923.22
benzyl alcohol	436.19
2-ethylhexanol	360.4
isooctanol	192.48
dipropyl ether	317.92
1,2-dichlorobenzene	453.84
ethyl lactate	252.31
propylene carbonate	651.12
n-methylformamide	980.87
2-pentanol	663.03
n-pentane	153.03
1-propoxy-2-propanol	709.53
1-methoxy-2-propyl acetate	529.98
2-(2-methoxypropoxy) propanol	516.85
mesitylene	158.01
ε-caprolactone	982.29
p-cymene	121.55
epichlorohydrin	1192.63
1,1,1-trichloroethane	1053.4
2-aminoethanol	1063.42
morpholine-4-carbaldehyde	1317.3
sulfolane	1346.74
2,2,4-trimethylpentane	78.59
2-methyltetrahydrofuran	1341.74
n-hexyl acetate	493.95
isooctane	48.08
2-(2-butoxyethoxy)ethanol	743.36
sec-butyl acetate	348.21
tert-butyl acetate	561.1
decalin	92.5
glycerin	847.28
diglyme	1068.23
acrylic acid	1005.16
isopropyl myristate	155.16
n-butyric acid	1195.01
acetyl acetate	458.12
di(2-ethylhexyl) phthalate	194.98
ethyl propionate	382.33
nitromethane	1699.79
1,2-diethoxyethane	609.35
benzonitrile	495.28
trioctyl phosphate	125.16
1-bromopropane	642.67
gamma-valerolactone	1455.1
n-decanol	160.33
triethyl phosphate	159.89
4-methyl-2-pentanol	344.67
propionitrile	655.06
vinylene carbonate	603.72
1,1,2-trichlorotrifluoroethane	1344.29
DMS	358.3
cumene	143.61
2-octanol	162.97
2-hexanone	534.43
octyl acetate	203.87
limonene	199.52
1,2-dimethoxyethane	1256.24
ethyl orthosilicate	179.78
tributyl phosphate	179.72
diacetone alcohol	720.32
N,N-dimethylaniline	289.8
acrylonitrile	734.78
aniline	612.88
1,3-propanediol	1189.42
bromobenzene	482.45
dibromomethane	923.23
1,1,2,2-tetrachloroethane	1647.84
2-methyl-cyclohexyl acetate	305.92
tetrabutyl urea	212.52
diisobutyl methanol	179.74
2-phenylethanol	430.91
styrene	279.47
dioctyl adipate	248.82
dimethyl sulfate	335.99
ethyl butyrate	315.25
methyl lactate	380.13
butyl lactate	319.26
diethyl carbonate	209.29
propanediol butyl ether	617.88
triethyl orthoformate	253.21
p-tert-butyltoluene	127.49
methyl 4-tert-butylbenzoate	317.24
morpholine	1835.11
tert-butylamine	929.61
n-dodecanol	111.75
dimethoxymethane	691.46
ethylene carbonate	518.2
cyrene	428.02
2-ethoxyethyl acetate	443.83
2-ethylhexyl acetate	434.54
1,2,4-trichlorobenzene	575.86
4-methylpyridine	962.09
dibutyl ether	289.96
2,6-dimethyl-4-heptanol	179.74
DEF	808.66
dimethyl isosorbide	628.81
tetrachloroethylene	1138.5
eugenol	336.54
triacetin	428.04
span 80	496.3
1,4-butanediol	476.61
1,1-dichloroethane	1075.62
2-methyl-1-pentanol	609.95
methyl formate	626.24
2-methyl-1-butanol	867.87
n-decane	29.18
butyronitrile	717.79
3,7-dimethyl-1-octanol	306.78
1-chlorooctane	146.66
1-chlorotetradecane	49.28
n-nonane	29.35
undecane	19.83
tert-butylcyclohexane	92.26
cyclooctane	52.39
cyclopentanol	937.49
tetrahydropyran	1341.55
tert-amyl methyl ether	728.61
2,5,8-trioxanonane	710.99
1-hexene	573.21
2-isopropoxyethanol	612.26
2,2,2-trifluoroethanol	609.01
methyl butyrate	529.64

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