Molecular formula
C18H38O

SMILES
CCCCCCCCCCCOCCCCCCC

Fragrance
Fruity	61.49%
Floral	57.83%
Waxy	57.79%
Oily	55.61%
Fatty	53.78%
Citrus	52.52%
Fresh	49.64%
Rose	44.42%
Orange	43.63%
Green	40.99%

 

Flavor
Waxy	63.07%
Floral	50.81%
Fatty	43.16%
Rose	39.3%
Fresh	38.66%
Fat	37.81%
Soapy	37.41%
Clean	34.15%
Flower	33.55%
Oily	32.54%

 

Odor impact est.
Low

XLogP3-AA
8.0

pKa est.
6.49 (neutral)

Molecular weight
270.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
331°C

Flash point

• 138.98 ˚C est.

• SCHEMBL8642096

1-Heptoxyundecane is a long-chain ether with a nonpolar character, commonly considered a solvent and processing aid in various industrial formulations. Practical applications may include: functioning as a nonpolar solvent or processing medium for coatings, inks, and adhesives; serving as a solvent carrier for fragrance oils and cosmetic ingredients in personal care formulations; acting as a fragrance carrier in perfumery and cosmetic systems; serving as a lubricant or plasticizer component in certain polymer formulations; and appearing in industrial cleaning formulations as a solvent for cleaning and equipment maintenance. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	798.04
methanol	407.96
isopropanol	1366.34
water	0.03
ethyl acetate	5275.76
n-propanol	1305.04
acetone	3376.08
n-butanol	1942.86
acetonitrile	1251.6
DMF	1760.75
toluene	1973.69
isobutanol	1497.78
1,4-dioxane	4447.25
methyl acetate	2565.1
THF	8049.33
2-butanone	3770.14
n-pentanol	1224.96
sec-butanol	1864.31
n-hexane	2863.15
ethylene glycol	37.33
NMP	3131.36
cyclohexane	9380.42
DMSO	2836.85
n-butyl acetate	6933.64
n-octanol	1300.4
chloroform	8673.04
n-propyl acetate	5217.3
acetic acid	870.02
dichloromethane	8608.18
cyclohexanone	9378.27
propylene glycol	124.6
isopropyl acetate	4760.2
DMAc	2316.63
2-ethoxyethanol	1357.87
isopentanol	2490.44
n-heptane	4247.3
ethyl formate	1683.51
1,2-dichloroethane	6940.67
n-hexanol	1837.74
2-methoxyethanol	1465.75
isobutyl acetate	3293.22
tetrachloromethane	3161.5
n-pentyl acetate	5605.71
transcutol	6631.65
n-heptanol	1277.77
ethylbenzene	1537.7
MIBK	3654.09
2-propoxyethanol	2046.29
tert-butanol	2692.24
MTBE	5185.65
2-butoxyethanol	1961.42
propionic acid	1170.36
o-xylene	1667.9
formic acid	71.02
diethyl ether	5753.12
m-xylene	1465.82
p-xylene	2193.78
chlorobenzene	2762.11
dimethyl carbonate	584.83
n-octane	1123.05
formamide	166.37
cyclopentanone	6319.92
2-pentanone	4826.38
anisole	2060.54
cyclopentyl methyl ether	6899.57
gamma-butyrolactone	5186.0
1-methoxy-2-propanol	1762.0
pyridine	3831.48
3-pentanone	3944.02
furfural	2989.18
n-dodecane	371.78
diethylene glycol	520.07
diisopropyl ether	3139.65
tert-amyl alcohol	2706.42
acetylacetone	3799.45
n-hexadecane	463.13
acetophenone	2183.1
methyl propionate	2718.76
isopentyl acetate	6253.87
trichloroethylene	8900.78
n-nonanol	1300.82
cyclohexanol	4248.88
benzyl alcohol	1021.7
2-ethylhexanol	2717.47
isooctanol	1494.73
dipropyl ether	8380.84
1,2-dichlorobenzene	3042.62
ethyl lactate	1066.85
propylene carbonate	3236.08
n-methylformamide	645.23
2-pentanol	2284.64
n-pentane	2035.57
1-propoxy-2-propanol	3158.98
1-methoxy-2-propyl acetate	3720.24
2-(2-methoxypropoxy) propanol	1285.9
mesitylene	1328.52
ε-caprolactone	6987.66
p-cymene	1802.44
epichlorohydrin	5845.11
1,1,1-trichloroethane	8392.33
2-aminoethanol	181.38
morpholine-4-carbaldehyde	2881.4
sulfolane	5978.27
2,2,4-trimethylpentane	975.81
2-methyltetrahydrofuran	8095.52
n-hexyl acetate	4831.67
isooctane	722.42
2-(2-butoxyethoxy)ethanol	1994.56
sec-butyl acetate	4406.31
tert-butyl acetate	5479.55
decalin	1861.98
glycerin	163.01
diglyme	5180.86
acrylic acid	589.93
isopropyl myristate	1834.32
n-butyric acid	3570.18
acetyl acetate	2717.51
di(2-ethylhexyl) phthalate	812.79
ethyl propionate	4587.75
nitromethane	1959.73
1,2-diethoxyethane	6394.39
benzonitrile	1895.52
trioctyl phosphate	832.2
1-bromopropane	6305.56
gamma-valerolactone	6170.59
n-decanol	861.16
triethyl phosphate	2119.17
4-methyl-2-pentanol	1566.81
propionitrile	1899.61
vinylene carbonate	2183.03
1,1,2-trichlorotrifluoroethane	2777.42
DMS	1792.53
cumene	1177.09
2-octanol	1312.12
2-hexanone	4087.95
octyl acetate	1894.35
limonene	3821.8
1,2-dimethoxyethane	4925.47
ethyl orthosilicate	2449.76
tributyl phosphate	1208.2
diacetone alcohol	3042.25
N,N-dimethylaniline	1541.04
acrylonitrile	1376.19
aniline	1610.21
1,3-propanediol	551.24
bromobenzene	3672.94
dibromomethane	7113.71
1,1,2,2-tetrachloroethane	8841.07
2-methyl-cyclohexyl acetate	3535.14
tetrabutyl urea	1599.46
diisobutyl methanol	2385.31
2-phenylethanol	1162.3
styrene	1766.14
dioctyl adipate	2135.95
dimethyl sulfate	980.8
ethyl butyrate	7033.27
methyl lactate	635.83
butyl lactate	2301.95
diethyl carbonate	3294.49
propanediol butyl ether	1051.78
triethyl orthoformate	4987.03
p-tert-butyltoluene	1632.71
methyl 4-tert-butylbenzoate	2017.3
morpholine	5479.79
tert-butylamine	2537.01
n-dodecanol	661.53
dimethoxymethane	1903.55
ethylene carbonate	2703.96
cyrene	1013.53
2-ethoxyethyl acetate	3927.42
2-ethylhexyl acetate	5565.55
1,2,4-trichlorobenzene	3077.96
4-methylpyridine	3938.72
dibutyl ether	6461.68
2,6-dimethyl-4-heptanol	2385.31
DEF	4722.91
dimethyl isosorbide	2779.8
tetrachloroethylene	6128.0
eugenol	1263.9
triacetin	3005.49
span 80	1525.62
1,4-butanediol	206.92
1,1-dichloroethane	6444.64
2-methyl-1-pentanol	1536.95
methyl formate	497.91
2-methyl-1-butanol	2060.94
n-decane	963.72
butyronitrile	2757.35
3,7-dimethyl-1-octanol	1887.69
1-chlorooctane	2494.41
1-chlorotetradecane	806.81
n-nonane	1142.26
undecane	547.43
tert-butylcyclohexane	1403.02
cyclooctane	2534.25
cyclopentanol	2962.46
tetrahydropyran	10770.99
tert-amyl methyl ether	4097.16
2,5,8-trioxanonane	2419.78
1-hexene	3701.93
2-isopropoxyethanol	1424.77
2,2,2-trifluoroethanol	328.69
methyl butyrate	5909.41

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