Hexitol

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  • Identifiers

    CAS number
    87-78-5

    Molecular formula
    C6H14O6

    SMILES
    C(C(C(C(C(CO)O)O)O)O)O

  • Odor profile

    Fragrance
    Odorless 69.3%
    Sweet 50.63%
    Alcoholic 23.09%
    Caramellic 21.63%
    Buttery 18.26%
    Clean 17.24%
    Cooling 15.67%
    Bitter 15.54%
    Fishy 15.34%
    Oily 14.8%

     

    Flavor
    Odorless 73.57%
    Sweet 61.86%
    Sweet-like 34.1%
    Very mild 23.89%
    Very slight 22.4%
    Bland 20.48%
    Mild 20.04%
    Cauliflower 19.33%
    Yeast 19.07%
    Soup 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.1

    pKa est.
    5.33 (weak acid)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    802°C

    Flash point

    • 244.88 ˚C est.

  • Synonyms

    • Hexitol
    • hexane-1,2,3,4,5,6-hexol
    • hexane-1,2,3,4,5,6-hexaol
    • 87-78-5
    • D-Glucitol-2-13C
    • DL-Mannitol
    • Hexahydric alcohol
    • D-Glucitol-2-d
    • SORBITOL, (D)
    • Karion
    • Hexahydroxyhexane
    • NSC1944
    • NSC9256
    • NSC25944
    • 1,2,3,4,5,6-Hexanehexol
    • D-Sorbitol-1-13C
    • D-Sorbitol-UL-14C
    • Fibrinogen fraction 1(from bovine plasma)
    • Resulax
    • Sorbilax
    • Sorbitur
    • Sorbit DP
    • Sorbitol;D-Glucitol
    • Liponic 70-NC
    • 115918-59-7
    • C6H14O6
    • 287100-69-0
    • Cystosol
    • Dulcitol; Melampyrit; NSC 1944
    • a hexitol
    • Karion, instant
    • NSC407017
    • Sorbit D
    • D,L-mannitol
    • D,L-sorbitol
    • D,L-talitol
    • NSC-227898
    • D,L-iditol
    • NCGC00159410-03
    • NCGC00159410-04
    • 121067-66-1
    • Mannitol (VAN8C
    • D(-)-Mannitol
    • component of Probilagol
    • Xylitol EP Impurity C
    • Probilagol (Salt/Mix)
    • DULCITOL DIFORMAL
    • Syn M.D.
    • MANNITOL, (D)
    • SCHEMBL764
    • WLN: Q1YQYQYQYQ1Q
    • NCIOpen2_007793
    • 1,3,4,5,6-Hexanehexol
    • MLS006011893
    • SCHEMBL7559219
    • D-1,3,4,5,6-Hexanehexol
    • CHEBI:125392
    • HMS3373E11
    • HMS3651B03
    • HMS3656I13
    • ALBB-022456
    • MLA10073
    • NBA11622
    • NSC-9256
    • WLN: Q1YQYQ 2 -BBAA -D
    • NSC127939
    • NSC227898
    • STL139313
    • AKOS005716939
    • MD07322
    • MM06723
    • MT00743
    • NSC-127939
    • SB44866
    • SB44873
    • SB45133
    • SB46997
    • SB84234
    • NCGC00159410-05
    • NCGC00159410-06
    • NCGC00159410-07
    • DA-62952
    • LS-13225
    • SMR001550234
    • SY012893
    • DB-051581
    • DB-053727
    • CS-0452692
    • NS00008496
    • D86697
    • EN300-138618
    • BRD-A35258977-001-01-7
    • Q27215890
    • 1AC83243-270A-43FC-AD8D-8C56B1631B19
    • Sorbitol, LINIMENT 60%, Mannitol, Liniment, D-Mannitol, D-Sorbitol, Dulcitol
    • 78512-81-9

  • Applications

    Hexitol (CAS 87-78-5) is a sugar-alcohol polyol used as a chemical intermediate and building block in industrial manufacturing. It is commonly employed as a precursor for isosorbide and related derivatives, enabling the production of rigid polymers such as polyesters, polyurethanes and polycarbonates. It also serves as a humectant and thickener in cosmetics and personal care products, and as a humectant and stabilizer in cleaning formulations. In food processing, hexitol polyols act as bulk sweeteners and moisture-retaining additives; in pharmaceutical formulations, they function as excipients and bulking agents for tablets and syrups. Additionally, they can be used as processing aids or starting materials in the synthesis of specialty chemicals and polymers for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.35
    methanol 17.94
    isopropanol 1.41
    water 1225.55
    ethyl acetate 0.52
    n-propanol 2.24
    acetone 0.6
    n-butanol 1.28
    acetonitrile 0.5
    DMF 58.23
    toluene 0.07
    isobutanol 0.99
    1,4-dioxane 2.59
    methyl acetate 0.41
    THF 1.42
    2-butanone 0.53
    n-pentanol 0.49
    sec-butanol 1.47
    n-hexane 0.07
    ethylene glycol 107.72
    NMP 57.33
    cyclohexane 0.46
    DMSO 213.27
    n-butyl acetate 0.31
    n-octanol 0.57
    chloroform 0.14
    n-propyl acetate 0.19
    acetic acid 7.9
    dichloromethane 0.23
    cyclohexanone 1.49
    propylene glycol 32.68
    isopropyl acetate 0.3
    DMAc 29.84
    2-ethoxyethanol 6.44
    isopentanol 0.67
    n-heptane 0.4
    ethyl formate 0.57
    1,2-dichloroethane 0.35
    n-hexanol 0.85
    2-methoxyethanol 25.32
    isobutyl acetate 0.07
    tetrachloromethane 0.16
    n-pentyl acetate 0.27
    transcutol 6.04
    n-heptanol 0.86
    ethylbenzene 0.08
    MIBK 0.26
    2-propoxyethanol 4.81
    tert-butanol 1.23
    MTBE 0.32
    2-butoxyethanol 2.93
    propionic acid 4.05
    o-xylene 0.2
    formic acid 167.19
    diethyl ether 0.41
    m-xylene 0.12
    p-xylene 0.09
    chlorobenzene 0.05
    dimethyl carbonate 1.48
    n-octane 0.15
    formamide 98.0
    cyclopentanone 1.91
    2-pentanone 0.49
    anisole 0.16
    cyclopentyl methyl ether 1.01
    gamma-butyrolactone 3.17
    1-methoxy-2-propanol 11.4
    pyridine 0.58
    3-pentanone 0.65
    furfural 3.67
    n-dodecane 0.07
    diethylene glycol 21.58
    diisopropyl ether 0.17
    tert-amyl alcohol 1.42
    acetylacetone 0.83
    n-hexadecane 0.07
    acetophenone 0.35
    methyl propionate 1.28
    isopentyl acetate 0.22
    trichloroethylene 0.31
    n-nonanol 0.52
    cyclohexanol 2.25
    benzyl alcohol 0.56
    2-ethylhexanol 0.51
    isooctanol 0.58
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.1
    ethyl lactate 1.52
    propylene carbonate 1.15
    n-methylformamide 21.17
    2-pentanol 0.77
    n-pentane 0.13
    1-propoxy-2-propanol 3.1
    1-methoxy-2-propyl acetate 1.16
    2-(2-methoxypropoxy) propanol 2.45
    mesitylene 0.15
    ε-caprolactone 1.94
    p-cymene 0.24
    epichlorohydrin 1.08
    1,1,1-trichloroethane 0.08
    2-aminoethanol 46.73
    morpholine-4-carbaldehyde 31.29
    sulfolane 28.71
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 0.91
    n-hexyl acetate 0.33
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 3.39
    sec-butyl acetate 0.13
    tert-butyl acetate 0.35
    decalin 0.1
    glycerin 131.55
    diglyme 5.78
    acrylic acid 7.6
    isopropyl myristate 0.14
    n-butyric acid 1.99
    acetyl acetate 0.36
    di(2-ethylhexyl) phthalate 0.34
    ethyl propionate 0.32
    nitromethane 6.18
    1,2-diethoxyethane 0.54
    benzonitrile 0.19
    trioctyl phosphate 0.37
    1-bromopropane 0.13
    gamma-valerolactone 5.64
    n-decanol 0.38
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.37
    propionitrile 0.34
    vinylene carbonate 1.11
    1,1,2-trichlorotrifluoroethane 11.29
    DMS 0.58
    cumene 0.09
    2-octanol 0.47
    2-hexanone 0.17
    octyl acetate 0.21
    limonene 0.44
    1,2-dimethoxyethane 2.88
    ethyl orthosilicate 0.53
    tributyl phosphate 0.3
    diacetone alcohol 2.09
    N,N-dimethylaniline 0.43
    acrylonitrile 0.73
    aniline 0.37
    1,3-propanediol 21.42
    bromobenzene 0.04
    dibromomethane 0.15
    1,1,2,2-tetrachloroethane 0.54
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 0.7
    diisobutyl methanol 0.47
    2-phenylethanol 0.59
    styrene 0.06
    dioctyl adipate 0.28
    dimethyl sulfate 6.33
    ethyl butyrate 0.38
    methyl lactate 7.3
    butyl lactate 1.08
    diethyl carbonate 0.26
    propanediol butyl ether 4.75
    triethyl orthoformate 0.55
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 1.14
    morpholine 5.07
    tert-butylamine 0.54
    n-dodecanol 0.3
    dimethoxymethane 5.13
    ethylene carbonate 0.9
    cyrene 7.21
    2-ethoxyethyl acetate 0.47
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 0.32
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.47
    DEF 4.7
    dimethyl isosorbide 3.71
    tetrachloroethylene 0.68
    eugenol 1.44
    triacetin 0.77
    span 80 3.09
    1,4-butanediol 7.09
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.35
    methyl formate 5.88
    2-methyl-1-butanol 0.94
    n-decane 0.12
    butyronitrile 0.26
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.16
    1-chlorotetradecane 0.08
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.06
    cyclooctane 0.28
    cyclopentanol 2.74
    tetrahydropyran 0.91
    tert-amyl methyl ether 0.57
    2,5,8-trioxanonane 5.11
    1-hexene 0.08
    2-isopropoxyethanol 2.05
    2,2,2-trifluoroethanol 14.78
    methyl butyrate 0.41

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction