Molecular formula
C9H18O2

SMILES
CC(C)CCCCCOC=O

Fragrance
Green	81.54%
Fruity	78.94%
Sweet	61.46%
Floral	57.91%
Fresh	54.32%
Herbal	52.27%
Waxy	46.88%
Apple	42.26%
Rose	41.45%
Citrus	39.79%

 

Flavor
Green	66.56%
Waxy	54.17%
Rose	50.44%
Floral	49.59%
Bitter	42.88%
Fruity	40.47%
Fresh	39.49%
Herbal	35.89%
Clean	31.53%
Citrus	31.52%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
8.1 (weak base)

Molecular weight
158.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
189°C

Flash point

• 65.23 ˚C est.

• SCHEMBL3040228

6-Methylheptyl formate is primarily used as a fragrance ingredient and odorant in perfumery and flavor applications, contributing to fruity, green, or floral notes; it may be used as a solvent or processing aid in coatings, inks, and cleaning formulations; it can serve as an intermediate in organic synthesis for fragrance derivatives; it may be employed as a plasticizer or component in specialty polymers; and it appears in cosmetics/personal care and some household products as a fragrance additive, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2775.33
methanol	2769.54
isopropanol	2080.33
water	0.11
ethyl acetate	1935.99
n-propanol	1988.76
acetone	3223.1
n-butanol	1863.84
acetonitrile	1276.6
DMF	1899.49
toluene	532.58
isobutanol	1393.1
1,4-dioxane	1648.59
methyl acetate	1203.12
THF	3672.16
2-butanone	2301.47
n-pentanol	1177.42
sec-butanol	1556.08
n-hexane	310.33
ethylene glycol	238.66
NMP	1487.56
cyclohexane	284.46
DMSO	3422.59
n-butyl acetate	1769.84
n-octanol	374.86
chloroform	2869.65
n-propyl acetate	1446.49
acetic acid	1423.61
dichloromethane	2961.34
cyclohexanone	2804.23
propylene glycol	551.74
isopropyl acetate	1085.34
DMAc	884.06
2-ethoxyethanol	1303.28
isopentanol	1509.63
n-heptane	115.37
ethyl formate	931.43
1,2-dichloroethane	2308.32
n-hexanol	1288.02
2-methoxyethanol	2301.32
isobutyl acetate	764.5
tetrachloromethane	454.99
n-pentyl acetate	689.66
transcutol	4360.92
n-heptanol	372.1
ethylbenzene	315.98
MIBK	1050.77
2-propoxyethanol	1773.39
tert-butanol	2201.04
MTBE	1612.36
2-butoxyethanol	787.09
propionic acid	1240.35
o-xylene	317.75
formic acid	332.69
diethyl ether	1742.57
m-xylene	421.21
p-xylene	389.75
chlorobenzene	801.08
dimethyl carbonate	257.67
n-octane	39.67
formamide	558.02
cyclopentanone	3130.09
2-pentanone	2209.77
anisole	660.59
cyclopentyl methyl ether	1951.68
gamma-butyrolactone	2694.51
1-methoxy-2-propanol	1871.93
pyridine	1545.11
3-pentanone	1134.12
furfural	1863.24
n-dodecane	20.81
diethylene glycol	920.09
diisopropyl ether	435.89
tert-amyl alcohol	1650.42
acetylacetone	1532.45
n-hexadecane	25.04
acetophenone	608.03
methyl propionate	1222.87
isopentyl acetate	1396.12
trichloroethylene	3730.86
n-nonanol	306.82
cyclohexanol	1574.24
benzyl alcohol	597.08
2-ethylhexanol	719.07
isooctanol	318.76
dipropyl ether	886.84
1,2-dichlorobenzene	726.82
ethyl lactate	421.72
propylene carbonate	1302.88
n-methylformamide	1246.3
2-pentanol	1257.0
n-pentane	177.32
1-propoxy-2-propanol	1593.93
1-methoxy-2-propyl acetate	1263.2
2-(2-methoxypropoxy) propanol	658.17
mesitylene	261.12
ε-caprolactone	1919.3
p-cymene	223.1
epichlorohydrin	3036.88
1,1,1-trichloroethane	1887.18
2-aminoethanol	816.85
morpholine-4-carbaldehyde	1449.74
sulfolane	3271.83
2,2,4-trimethylpentane	78.8
2-methyltetrahydrofuran	3052.16
n-hexyl acetate	873.47
isooctane	71.66
2-(2-butoxyethoxy)ethanol	990.86
sec-butyl acetate	863.04
tert-butyl acetate	1192.12
decalin	118.47
glycerin	510.76
diglyme	1752.41
acrylic acid	828.28
isopropyl myristate	268.54
n-butyric acid	2254.64
acetyl acetate	712.01
di(2-ethylhexyl) phthalate	244.65
ethyl propionate	1059.56
nitromethane	2017.07
1,2-diethoxyethane	1414.4
benzonitrile	787.68
trioctyl phosphate	189.59
1-bromopropane	1425.61
gamma-valerolactone	3006.57
n-decanol	209.89
triethyl phosphate	291.53
4-methyl-2-pentanol	571.89
propionitrile	1241.23
vinylene carbonate	981.11
1,1,2-trichlorotrifluoroethane	1862.71
DMS	500.3
cumene	219.36
2-octanol	280.97
2-hexanone	1555.18
octyl acetate	336.18
limonene	405.89
1,2-dimethoxyethane	1957.28
ethyl orthosilicate	304.1
tributyl phosphate	282.6
diacetone alcohol	1421.71
N,N-dimethylaniline	364.68
acrylonitrile	1314.19
aniline	797.17
1,3-propanediol	1163.18
bromobenzene	850.77
dibromomethane	2171.82
1,1,2,2-tetrachloroethane	2810.33
2-methyl-cyclohexyl acetate	620.03
tetrabutyl urea	312.45
diisobutyl methanol	392.1
2-phenylethanol	627.6
styrene	414.16
dioctyl adipate	410.5
dimethyl sulfate	459.73
ethyl butyrate	1018.83
methyl lactate	492.55
butyl lactate	569.51
diethyl carbonate	494.82
propanediol butyl ether	768.63
triethyl orthoformate	552.84
p-tert-butyltoluene	222.27
methyl 4-tert-butylbenzoate	469.12
morpholine	2707.1
tert-butylamine	1283.54
n-dodecanol	148.79
dimethoxymethane	1104.01
ethylene carbonate	823.22
cyrene	509.67
2-ethoxyethyl acetate	893.16
2-ethylhexyl acetate	995.53
1,2,4-trichlorobenzene	839.24
4-methylpyridine	1546.26
dibutyl ether	660.75
2,6-dimethyl-4-heptanol	392.1
DEF	1519.12
dimethyl isosorbide	1109.45
tetrachloroethylene	1774.97
eugenol	478.13
triacetin	637.38
span 80	639.49
1,4-butanediol	420.23
1,1-dichloroethane	2327.88
2-methyl-1-pentanol	960.47
methyl formate	695.9
2-methyl-1-butanol	1338.34
n-decane	45.3
butyronitrile	1577.56
3,7-dimethyl-1-octanol	481.42
1-chlorooctane	270.66
1-chlorotetradecane	75.9
n-nonane	50.43
undecane	29.02
tert-butylcyclohexane	126.76
cyclooctane	77.38
cyclopentanol	1644.72
tetrahydropyran	2826.05
tert-amyl methyl ether	1031.82
2,5,8-trioxanonane	1015.53
1-hexene	1026.65
2-isopropoxyethanol	954.32
2,2,2-trifluoroethanol	323.79
methyl butyrate	1571.49

Scent© AI