Molecular formula
C6H14O2

SMILES
CCCC[C@@H](CO)O

Fragrance
Fruity	59.64%
Oily	49.22%
Alcoholic	44.88%
Fermented	39.64%
Sweet	37.71%
Musty	31.43%
Solvent	30.97%
Ethereal	30.22%
Odorless	29.01%
Cheesy	28.95%

 

Flavor
Sweet	50.25%
Odorless	38.27%
Herbal	32.05%
Alcoholic	29.09%
Oily	27.14%
Musty	26.68%
Very slight	24.33%
Sweet-like	23.91%
Herb	23.7%
Mild	23.42%

 

Odor impact est.
Low

XLogP3-AA
0.7

pKa est.
7.98 (neutral)

Molecular weight
118.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
222°C

Flash point

• 108.03 ˚C est.

• (2s)-Hexane-1,2-Diol
• 0RE
• (2s)-2-hexanediol
• SCHEMBL1934981
• FHKSXSQHXQEMOK-LURJTMIESA-N
• Q27451350

(2s)-Hexane-1,2-diol is commonly used as a solvent and humectant in cosmetics and personal care formulations, aiding solubility of ingredients and moisture retention; it also serves as a chiral building block or intermediate in pharmaceutical and fine-chemical synthesis. In polymers and coatings, it functions as a diol monomer or co-monomer for polyesters and polyurethanes and can act as a processing aid or crosslinking component in resins and inks. It is employed as a solvent in cleaning and industrial formulations, contributing to household and industrial cleaners. In fragrance and flavor applications, it may be used as a solvent or carrier for aroma compounds, leveraging its solvency and compatibility with other formulation ingredients.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	600.22
methanol	827.82
isopropanol	412.71
water	13.06
ethyl acetate	57.32
n-propanol	417.25
acetone	106.3
n-butanol	374.71
acetonitrile	76.07
DMF	265.17
toluene	9.8
isobutanol	269.3
1,4-dioxane	242.78
methyl acetate	60.72
THF	353.66
2-butanone	69.9
n-pentanol	180.57
sec-butanol	251.46
n-hexane	9.32
ethylene glycol	336.92
NMP	206.61
cyclohexane	18.58
DMSO	649.47
n-butyl acetate	112.4
n-octanol	88.66
chloroform	113.42
n-propyl acetate	55.86
acetic acid	405.22
dichloromethane	108.47
cyclohexanone	185.73
propylene glycol	352.0
isopropyl acetate	38.29
DMAc	120.81
2-ethoxyethanol	257.82
isopentanol	239.99
n-heptane	23.44
ethyl formate	96.62
1,2-dichloroethane	62.95
n-hexanol	278.8
2-methoxyethanol	589.53
isobutyl acetate	41.06
tetrachloromethane	29.19
n-pentyl acetate	54.38
transcutol	453.32
n-heptanol	124.4
ethylbenzene	10.68
MIBK	47.94
2-propoxyethanol	333.33
tert-butanol	402.11
MTBE	77.79
2-butoxyethanol	203.83
propionic acid	261.22
o-xylene	14.63
formic acid	251.72
diethyl ether	52.09
m-xylene	13.0
p-xylene	15.79
chlorobenzene	29.01
dimethyl carbonate	19.69
n-octane	7.02
formamide	200.35
cyclopentanone	200.1
2-pentanone	63.52
anisole	37.61
cyclopentyl methyl ether	95.09
gamma-butyrolactone	240.3
1-methoxy-2-propanol	349.83
pyridine	88.06
3-pentanone	33.45
furfural	217.04
n-dodecane	5.84
diethylene glycol	343.41
diisopropyl ether	18.91
tert-amyl alcohol	229.49
acetylacetone	72.47
n-hexadecane	6.12
acetophenone	47.09
methyl propionate	48.75
isopentyl acetate	94.23
trichloroethylene	111.5
n-nonanol	73.65
cyclohexanol	219.68
benzyl alcohol	68.57
2-ethylhexanol	132.28
isooctanol	92.47
dipropyl ether	87.28
1,2-dichlorobenzene	35.06
ethyl lactate	62.58
propylene carbonate	130.76
n-methylformamide	202.66
2-pentanol	160.03
n-pentane	10.01
1-propoxy-2-propanol	262.11
1-methoxy-2-propyl acetate	91.56
2-(2-methoxypropoxy) propanol	137.27
mesitylene	13.35
ε-caprolactone	159.52
p-cymene	25.08
epichlorohydrin	180.84
1,1,1-trichloroethane	44.81
2-aminoethanol	510.68
morpholine-4-carbaldehyde	248.58
sulfolane	342.08
2,2,4-trimethylpentane	8.58
2-methyltetrahydrofuran	191.09
n-hexyl acetate	76.63
isooctane	7.79
2-(2-butoxyethoxy)ethanol	198.53
sec-butyl acetate	32.68
tert-butyl acetate	52.39
decalin	9.54
glycerin	446.1
diglyme	301.84
acrylic acid	209.75
isopropyl myristate	35.65
n-butyric acid	328.72
acetyl acetate	37.68
di(2-ethylhexyl) phthalate	51.81
ethyl propionate	35.61
nitromethane	238.16
1,2-diethoxyethane	87.15
benzonitrile	66.64
trioctyl phosphate	48.3
1-bromopropane	38.0
gamma-valerolactone	278.14
n-decanol	54.96
triethyl phosphate	42.17
4-methyl-2-pentanol	84.88
propionitrile	80.6
vinylene carbonate	113.97
1,1,2-trichlorotrifluoroethane	231.56
DMS	41.46
cumene	14.07
2-octanol	62.45
2-hexanone	56.64
octyl acetate	47.81
limonene	42.65
1,2-dimethoxyethane	243.92
ethyl orthosilicate	43.68
tributyl phosphate	45.33
diacetone alcohol	131.45
N,N-dimethylaniline	33.73
acrylonitrile	103.17
aniline	53.04
1,3-propanediol	578.83
bromobenzene	20.66
dibromomethane	67.21
1,1,2,2-tetrachloroethane	114.79
2-methyl-cyclohexyl acetate	72.3
tetrabutyl urea	61.7
diisobutyl methanol	68.66
2-phenylethanol	90.14
styrene	12.72
dioctyl adipate	61.84
dimethyl sulfate	47.93
ethyl butyrate	76.17
methyl lactate	79.44
butyl lactate	85.51
diethyl carbonate	45.75
propanediol butyl ether	197.57
triethyl orthoformate	66.9
p-tert-butyltoluene	26.15
methyl 4-tert-butylbenzoate	78.68
morpholine	317.56
tert-butylamine	202.89
n-dodecanol	44.31
dimethoxymethane	97.13
ethylene carbonate	95.75
cyrene	123.04
2-ethoxyethyl acetate	64.59
2-ethylhexyl acetate	63.85
1,2,4-trichlorobenzene	45.2
4-methylpyridine	61.82
dibutyl ether	46.96
2,6-dimethyl-4-heptanol	68.66
DEF	90.38
dimethyl isosorbide	178.56
tetrachloroethylene	95.42
eugenol	98.0
triacetin	73.61
span 80	167.05
1,4-butanediol	207.0
1,1-dichloroethane	46.54
2-methyl-1-pentanol	127.24
methyl formate	110.27
2-methyl-1-butanol	201.65
n-decane	8.48
butyronitrile	109.97
3,7-dimethyl-1-octanol	77.31
1-chlorooctane	27.11
1-chlorotetradecane	13.55
n-nonane	8.05
undecane	6.84
tert-butylcyclohexane	10.08
cyclooctane	6.69
cyclopentanol	302.27
tetrahydropyran	191.37
tert-amyl methyl ether	55.03
2,5,8-trioxanonane	229.59
1-hexene	25.77
2-isopropoxyethanol	160.43
2,2,2-trifluoroethanol	104.19
methyl butyrate	69.45

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