Molecular formula
C13H18O3

SMILES
CCCCCCC1=C(C(=CC=C1)O)C(=O)O

Fragrance
Floral	40.86%
Phenolic	40.48%
Balsamic	39.89%
Spicy	36.2%
Sweet	35.62%
Animal	35.49%
Waxy	33.17%
Fatty	33.17%
Woody	30.21%
Herbal	28.45%

 

Flavor
Woody	35.8%
Mild	34.57%
Herbal	33.66%
Odorless	29.86%
Phenolic	27.17%
Fatty	25.87%
Waxy	24.16%
Oily	22.83%
Musty	22.08%
Lovage	21.81%

 

Odor impact est.
Low

XLogP3-AA
4.6

pKa est.
7.51 (neutral)

Molecular weight
222.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
349°C

Flash point

• 177.74 ˚C est.

• 6-hexylsalicylic acid
• SCHEMBL4248799
• CHEMBL4764919

6-Hexylsalicylic acid, CAS number: , is primarily used as an intermediate in organic synthesis, serving as a building block for pharmaceuticals and fine chemicals. In fragrance and cosmetics, the hexylated salicylic framework can be employed as a building block for fragrance components and cosmetic formulations. It also finds use as a lipophilic additive or precursor in specialty polymers and plastics, potentially aiding formulation compatibility. In coatings and inks, it may be explored as an intermediate for dye precursors or functional additives, while in general industrial manufacturing it is handled as a versatile organic intermediate for process chemistry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4640.5
methanol	4664.09
isopropanol	2630.38
water	0.12
ethyl acetate	1288.45
n-propanol	3799.36
acetone	3414.05
n-butanol	2406.92
acetonitrile	930.65
DMF	8956.49
toluene	260.31
isobutanol	2074.31
1,4-dioxane	1283.22
methyl acetate	1094.78
THF	5136.12
2-butanone	2087.54
n-pentanol	1102.32
sec-butanol	1758.0
n-hexane	37.23
ethylene glycol	633.88
NMP	3508.8
cyclohexane	29.9
DMSO	10404.41
n-butyl acetate	613.85
n-octanol	133.96
chloroform	567.56
n-propyl acetate	518.07
acetic acid	956.62
dichloromethane	708.85
cyclohexanone	2193.96
propylene glycol	1178.64
isopropyl acetate	768.64
DMAc	2601.81
2-ethoxyethanol	1308.55
isopentanol	1398.31
n-heptane	9.19
ethyl formate	528.47
1,2-dichloroethane	1395.43
n-hexanol	882.19
2-methoxyethanol	4516.68
isobutyl acetate	292.2
tetrachloromethane	71.98
n-pentyl acetate	244.36
transcutol	1778.05
n-heptanol	216.25
ethylbenzene	95.87
MIBK	905.54
2-propoxyethanol	1641.58
tert-butanol	2322.15
MTBE	1174.82
2-butoxyethanol	497.49
propionic acid	982.77
o-xylene	132.89
formic acid	375.09
diethyl ether	1080.46
m-xylene	216.08
p-xylene	103.53
chlorobenzene	328.01
dimethyl carbonate	497.8
n-octane	4.53
formamide	1053.05
cyclopentanone	3935.63
2-pentanone	2160.74
anisole	335.13
cyclopentyl methyl ether	2040.39
gamma-butyrolactone	3461.26
1-methoxy-2-propanol	3170.56
pyridine	989.41
3-pentanone	990.83
furfural	1091.39
n-dodecane	4.36
diethylene glycol	1080.92
diisopropyl ether	236.24
tert-amyl alcohol	1302.01
acetylacetone	1520.28
n-hexadecane	5.27
acetophenone	314.06
methyl propionate	1529.0
isopentyl acetate	529.69
trichloroethylene	1453.68
n-nonanol	120.94
cyclohexanol	1206.71
benzyl alcohol	386.73
2-ethylhexanol	254.66
isooctanol	165.27
dipropyl ether	261.93
1,2-dichlorobenzene	239.83
ethyl lactate	237.08
propylene carbonate	848.84
n-methylformamide	3500.84
2-pentanol	1139.66
n-pentane	33.93
1-propoxy-2-propanol	876.9
1-methoxy-2-propyl acetate	723.41
2-(2-methoxypropoxy) propanol	342.66
mesitylene	110.87
ε-caprolactone	1335.37
p-cymene	52.69
epichlorohydrin	3676.69
1,1,1-trichloroethane	563.69
2-aminoethanol	2019.72
morpholine-4-carbaldehyde	2115.33
sulfolane	4558.88
2,2,4-trimethylpentane	19.73
2-methyltetrahydrofuran	2825.72
n-hexyl acetate	317.42
isooctane	22.88
2-(2-butoxyethoxy)ethanol	582.93
sec-butyl acetate	300.43
tert-butyl acetate	863.58
decalin	19.82
glycerin	1034.8
diglyme	1027.29
acrylic acid	607.57
isopropyl myristate	102.98
n-butyric acid	1511.22
acetyl acetate	357.92
di(2-ethylhexyl) phthalate	108.58
ethyl propionate	428.34
nitromethane	1923.66
1,2-diethoxyethane	477.42
benzonitrile	340.91
trioctyl phosphate	94.39
1-bromopropane	643.25
gamma-valerolactone	3197.66
n-decanol	93.46
triethyl phosphate	104.19
4-methyl-2-pentanol	441.86
propionitrile	949.14
vinylene carbonate	523.37
1,1,2-trichlorotrifluoroethane	1183.77
DMS	297.51
cumene	63.5
2-octanol	116.61
2-hexanone	752.77
octyl acetate	143.76
limonene	99.48
1,2-dimethoxyethane	1527.87
ethyl orthosilicate	104.35
tributyl phosphate	110.55
diacetone alcohol	1315.9
N,N-dimethylaniline	200.02
acrylonitrile	1128.82
aniline	659.84
1,3-propanediol	2257.8
bromobenzene	269.53
dibromomethane	513.99
1,1,2,2-tetrachloroethane	1200.46
2-methyl-cyclohexyl acetate	210.28
tetrabutyl urea	165.94
diisobutyl methanol	131.85
2-phenylethanol	354.38
styrene	127.37
dioctyl adipate	151.95
dimethyl sulfate	875.96
ethyl butyrate	274.15
methyl lactate	694.73
butyl lactate	247.64
diethyl carbonate	138.36
propanediol butyl ether	431.71
triethyl orthoformate	162.29
p-tert-butyltoluene	58.82
methyl 4-tert-butylbenzoate	243.01
morpholine	3385.72
tert-butylamine	908.19
n-dodecanol	68.48
dimethoxymethane	3434.14
ethylene carbonate	495.85
cyrene	376.76
2-ethoxyethyl acetate	376.22
2-ethylhexyl acetate	330.29
1,2,4-trichlorobenzene	311.04
4-methylpyridine	1114.54
dibutyl ether	150.09
2,6-dimethyl-4-heptanol	131.85
DEF	2033.33
dimethyl isosorbide	651.04
tetrachloroethylene	576.41
eugenol	245.1
triacetin	208.39
span 80	292.28
1,4-butanediol	556.12
1,1-dichloroethane	955.94
2-methyl-1-pentanol	666.39
methyl formate	1246.29
2-methyl-1-butanol	1422.23
n-decane	6.9
butyronitrile	1061.09
3,7-dimethyl-1-octanol	160.55
1-chlorooctane	61.56
1-chlorotetradecane	22.41
n-nonane	6.25
undecane	5.49
tert-butylcyclohexane	21.16
cyclooctane	9.67
cyclopentanol	1975.22
tetrahydropyran	2062.57
tert-amyl methyl ether	667.0
2,5,8-trioxanonane	590.96
1-hexene	248.46
2-isopropoxyethanol	707.39
2,2,2-trifluoroethanol	205.69
methyl butyrate	625.93

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