Isosorbide

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  • Identifiers

    CAS number
    652-67-5

    Molecular formula
    C6H10O4

    SMILES
    C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.74%
    Sweet 32.93%
    Caramellic 21.71%
    Woody 21.54%
    Fishy 19.72%
    Alcoholic 18.18%
    Clean 16.64%
    Burnt 15.69%
    Smoky 13.69%
    Cooling 13.0%

     

    Flavor
    Sweet 60.52%
    Bitter 47.29%
    Odorless 32.98%
    Fatty 28.08%
    Sweet-like 26.92%
    Cauliflower 21.92%
    Alkaline 21.06%
    Naphthalic 19.87%
    Very slight 19.74%
    Soup 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    6.54 (neutral)

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 60-63
    • 61-64 °C

    Boiling point

    • 175

    Flash point

    • 150.35 ˚C est.

    Solubility expt.

    • 29 mg/mL

  • Synonyms

    • isosorbide
    • 652-67-5
    • Isobide
    • (3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
    • Devicoran
    • Hydronol
    • Ismotic
    • 1,4:3,6-Dianhydro-D-glucitol
    • (+)-D-Isosorbide
    • D-Glucitol, 1,4:3,6-dianhydro-
    • 1,4:3,6-Dianhydro-D-sorbitol
    • 1,4:3,6-Dianhydrosorbitol
    • NSC-40725
    • DTXSID5046196
    • Glucitol, 1,4:3,6-dianhydro-, D-
    • WXR179L51S
    • NSC40725
    • DTXCID3026196
    • (3R,3aR,6S,6aR)-hexahydrofuro(3,2-b)furan-3,6-diol
    • RefChem:55420
    • GlyTouCan:G82967ZA
    • G82967ZA
    • 211-492-3
    • Sorbid
    • Vascardin dinitrate
    • 1,4-Dianhydrosorbitol
    • Dianhydro-D-glucitol
    • Isosorbida
    • (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
    • D-Isosorbide
    • MFCD00064827
    • D-Isosorbide;Dianhydro-D-glucitol
    • Sorbitol, 1,4:3,6-dianhydro-
    • D-1,4:3,6-Dianhydroglucitol
    • NCGC00160508-01
    • Isosorbide 100 microg/mL in Acetonitrile
    • Hydronol (VAN)
    • Isosorbidum
    • Isosorbidum [INN-Latin]
    • Isosorbida [INN-Spanish]
    • CAS-652-67-5
    • HSDB 3105
    • EINECS 211-492-3
    • NSC 40725
    • BRN 0080510
    • lsosorbide
    • UNII-WXR179L51S
    • Devicoran;
    • Hydronol;
    • Ismotic;
    • Sorbide (obsol.)
    • Ismotic (TN)
    • Isobide (TN)
    • Isobide. Isorgen G;
    • Isosorbide [USAN:USP:INN:BAN:JAN]
    • 1,6-Dianhydrosorbitol
    • ISOSORBIDE [MI]
    • ISOSORBIDE [INN]
    • ISOSORBIDE [JAN]
    • ISOSORBIDE [HSDB]
    • ISOSORBIDE [USAN]
    • ISOSORBIDE [VANDF]
    • 1,6-Dianhydro-D-glucitol
    • 1,6-Dianhydro-D-sorbitol
    • EC 211-492-3
    • ISOSORBIDE [MART.]
    • ISOSORBIDE [USP-RS]
    • ISOSORBIDE [WHO-DD]
    • Dianhydro-D-glucitol, 98%
    • SCHEMBL15495
    • 1,4:3,6-Dianhydroglucitol
    • 5-19-03-00201 (Beilstein Handbook Reference)
    • BIDD:GT0695
    • 1,4; 3,6-dianhydrosorbitol
    • CHEBI:6060
    • Isosorbide (JP18/USP/INN)
    • orb1300667
    • D-Glucitol,4:3,6-dianhydro-
    • CHEMBL1200660
    • ISOSORBIDE [ORANGE BOOK]
    • 1.4:3.6-dianhydro-D-glucitol
    • 1.4;3.6-dianhydro-D-glucitol
    • ISOSORBIDE [USP IMPURITY]
    • Glucitol,4:3,6-dianhydro-, D-
    • BB_NC-00080
    • HY-B1469
    • Tox21_111861
    • BBL029591
    • EBC-04434
    • s4204
    • STK801813
    • AKOS005622709
    • Tox21_111861_1
    • CCG-266173
    • CS-5157
    • DB09401
    • MD07153
    • SMP1_000177
    • NCGC00160508-02
    • NCGC00160508-03
    • AS-14140
    • DA-61279
    • I0407
    • NS00002879
    • D00347
    • EN300-170910
    • AB01566931_01
    • F242232
    • Q1243800
    • BRD-K47178855-001-01-8
    • BRD-K47178855-001-02-6
    • Z1216815730
    • A912284D-27E1-4FB0-91B8-86C8AB905297
    • Rel-(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
    • D-Sorbitol, {1,4:3,6-dianhydro(furo[3,2-b]furan-3,6-diol,} hexahydro-)
    • D-Sorbitol,4:3,6-dianhydro(furo[3,2-b]furan-3,6-diol, hexahydro-)
    • 28980-83-8
    • 652-67-5

  • Applications

    Isosorbide (CAS 652-67-5) is a bio-based diol with two hydroxyl groups used as a building block for polymers such as isosorbide-based polycarbonates and polyesters, providing BPA-free options in industrial plastics; it also serves as a diol extender or linking component in polyurethanes and resin systems, enhancing stiffness, thermal resistance, and mechanical durability of coatings, adhesives, and plastics; additionally, isosorbide is a precursor in pharmaceutical nitrate synthesis (e.g., isosorbide dinitrate) and is being explored for applications in UV-curable resins and high-Tg, bio-based polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.12
    methanol 194.54
    isopropanol 21.59
    water 1144.37
    ethyl acetate 12.35
    n-propanol 23.91
    acetone 26.25
    n-butanol 16.25
    acetonitrile 21.17
    DMF 205.83
    toluene 1.2
    isobutanol 11.83
    1,4-dioxane 33.51
    methyl acetate 10.52
    THF 42.9
    2-butanone 9.26
    n-pentanol 9.42
    sec-butanol 10.49
    n-hexane 0.26
    ethylene glycol 203.11
    NMP 117.01
    cyclohexane 0.57
    DMSO 476.62
    n-butyl acetate 7.6
    n-octanol 10.47
    chloroform 20.2
    n-propyl acetate 7.85
    acetic acid 218.69
    dichloromethane 26.26
    cyclohexanone 19.88
    propylene glycol 67.41
    isopropyl acetate 8.7
    DMAc 91.84
    2-ethoxyethanol 98.0
    isopentanol 11.63
    n-heptane 1.12
    ethyl formate 25.99
    1,2-dichloroethane 13.13
    n-hexanol 11.07
    2-methoxyethanol 201.78
    isobutyl acetate 4.32
    tetrachloromethane 5.29
    n-pentyl acetate 7.86
    transcutol 116.5
    n-heptanol 10.87
    ethylbenzene 1.09
    MIBK 9.75
    2-propoxyethanol 69.55
    tert-butanol 20.05
    MTBE 4.55
    2-butoxyethanol 44.1
    propionic acid 36.35
    o-xylene 2.1
    formic acid 866.79
    diethyl ether 5.57
    m-xylene 2.45
    p-xylene 1.41
    chlorobenzene 3.38
    dimethyl carbonate 14.02
    n-octane 0.68
    formamide 584.22
    cyclopentanone 35.8
    2-pentanone 11.35
    anisole 6.29
    cyclopentyl methyl ether 11.33
    gamma-butyrolactone 70.07
    1-methoxy-2-propanol 100.86
    pyridine 13.2
    3-pentanone 6.21
    furfural 103.33
    n-dodecane 0.68
    diethylene glycol 159.55
    diisopropyl ether 2.54
    tert-amyl alcohol 11.7
    acetylacetone 29.02
    n-hexadecane 0.73
    acetophenone 11.13
    methyl propionate 13.85
    isopentyl acetate 7.19
    trichloroethylene 26.22
    n-nonanol 9.68
    cyclohexanol 10.54
    benzyl alcohol 12.71
    2-ethylhexanol 6.37
    isooctanol 9.03
    dipropyl ether 7.01
    1,2-dichlorobenzene 5.94
    ethyl lactate 21.33
    propylene carbonate 31.68
    n-methylformamide 158.42
    2-pentanol 8.13
    n-pentane 0.41
    1-propoxy-2-propanol 38.66
    1-methoxy-2-propyl acetate 20.78
    2-(2-methoxypropoxy) propanol 38.52
    mesitylene 2.51
    ε-caprolactone 25.75
    p-cymene 3.26
    epichlorohydrin 54.94
    1,1,1-trichloroethane 6.81
    2-aminoethanol 136.74
    morpholine-4-carbaldehyde 158.26
    sulfolane 127.77
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 14.53
    n-hexyl acetate 11.0
    isooctane 0.49
    2-(2-butoxyethoxy)ethanol 50.21
    sec-butyl acetate 4.54
    tert-butyl acetate 10.45
    decalin 0.49
    glycerin 213.93
    diglyme 101.67
    acrylic acid 62.12
    isopropyl myristate 5.38
    n-butyric acid 37.32
    acetyl acetate 14.21
    di(2-ethylhexyl) phthalate 8.62
    ethyl propionate 7.61
    nitromethane 216.57
    1,2-diethoxyethane 13.39
    benzonitrile 10.29
    trioctyl phosphate 7.76
    1-bromopropane 2.9
    gamma-valerolactone 95.23
    n-decanol 7.13
    triethyl phosphate 8.61
    4-methyl-2-pentanol 7.13
    propionitrile 8.49
    vinylene carbonate 33.68
    1,1,2-trichlorotrifluoroethane 114.69
    DMS 10.31
    cumene 1.47
    2-octanol 6.24
    2-hexanone 5.7
    octyl acetate 7.38
    limonene 4.04
    1,2-dimethoxyethane 59.16
    ethyl orthosilicate 7.41
    tributyl phosphate 7.72
    diacetone alcohol 31.25
    N,N-dimethylaniline 7.02
    acrylonitrile 20.69
    aniline 6.12
    1,3-propanediol 115.5
    bromobenzene 2.69
    dibromomethane 10.82
    1,1,2,2-tetrachloroethane 20.35
    2-methyl-cyclohexyl acetate 8.67
    tetrabutyl urea 12.18
    diisobutyl methanol 6.31
    2-phenylethanol 13.67
    styrene 1.12
    dioctyl adipate 9.5
    dimethyl sulfate 49.08
    ethyl butyrate 9.32
    methyl lactate 40.33
    butyl lactate 15.5
    diethyl carbonate 6.86
    propanediol butyl ether 44.06
    triethyl orthoformate 9.38
    p-tert-butyltoluene 3.3
    methyl 4-tert-butylbenzoate 22.5
    morpholine 43.84
    tert-butylamine 7.36
    n-dodecanol 5.46
    dimethoxymethane 62.2
    ethylene carbonate 24.37
    cyrene 49.58
    2-ethoxyethyl acetate 14.49
    2-ethylhexyl acetate 5.04
    1,2,4-trichlorobenzene 6.83
    4-methylpyridine 8.71
    dibutyl ether 4.9
    2,6-dimethyl-4-heptanol 6.31
    DEF 30.05
    dimethyl isosorbide 55.24
    tetrachloroethylene 19.76
    eugenol 29.85
    triacetin 19.62
    span 80 28.06
    1,4-butanediol 56.19
    1,1-dichloroethane 5.98
    2-methyl-1-pentanol 6.68
    methyl formate 105.03
    2-methyl-1-butanol 9.98
    n-decane 1.0
    butyronitrile 8.67
    3,7-dimethyl-1-octanol 9.57
    1-chlorooctane 3.29
    1-chlorotetradecane 1.63
    n-nonane 0.91
    undecane 0.81
    tert-butylcyclohexane 0.48
    cyclooctane 0.47
    cyclopentanol 17.76
    tetrahydropyran 9.38
    tert-amyl methyl ether 4.9
    2,5,8-trioxanonane 76.28
    1-hexene 0.69
    2-isopropoxyethanol 41.59
    2,2,2-trifluoroethanol 176.52
    methyl butyrate 11.02

    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