Dimethyldibenzylidene sorbitol

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  • Identifiers

    CAS number
    135861-56-2

    Molecular formula
    C24H30O6

    SMILES
    CC1=C(C=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC(=C(C=C4)C)C)[C@@H](CO)O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 44.29%
    Sweet 31.63%
    Fruity 29.99%
    Animal 27.16%
    Green 24.43%
    Powdery 23.34%
    Fatty 21.61%
    Honey 20.58%
    Bitter 19.9%
    Aromatic 19.8%

     

    Flavor
    Bitter 64.2%
    Sweet-like 22.22%
    Parsley 20.93%
    Cedarleaf 20.88%
    Naphthalic 20.8%
    Eugenol 20.16%
    Lovage 19.9%
    Bland 19.66%
    Ripe apricot 19.64%
    Green tea 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    4.51 (weak acid)

    Molecular weight
    414.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    964°C

    Flash point

    • 189.87 ˚C est.

  • Synonyms

    • dimethyldibenzylidene sorbitol
    • Millad 3988
    • D-Glucitol, 1,3:2,4-bis-O-[(3,4-dimethylphenyl)methylene]-
    • ZR857KD5X9
    • bis(3,4-dimethylbenzylidene) sorbitol
    • D-Glucitol, 1,3:2,4-bis-O-((3,4-dimethylphenyl)methylene)-
    • 1,3:2,4-bis(3,4-dimethylbenzylidene)sorbitol
    • RefChem:588533
    • DIMETHYLDIBENZYLIDENE SORBITOL [INCI]
    • D-Glucitol, 1,3:2,4-bis-O-(3,4-dimethylphenyl)methylene-
    • 135861-56-2
    • 1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol
    • (1R)-1-((4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
    • MFCD09038711
    • (1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
    • 1,3:2,4-Bis-O-[(3,4-dimethylphenyl)methylene]-D-glucitol
    • 1,3:2,4-bis-o-(3,4-dimethylbenzylidene)-d-sorbitol
    • (1R)-1-[(4R,4AR,8AS)-2,6-BIS(3,4-DIMETHYLPHENYL)-HEXAHYDRO-[1,3]DIOXINO[5,4-D][1,3]DIOXIN-4-YL]ETHANE-1,2-DIOL
    • 1,3:2,4-bis(3,4-dimethylbenzylidene)-d-sorbitol
    • DMDBS
    • 1,3:2,4-bis-o-(3,4-dimethylbenzylidene)sorbitol
    • UNII-ZR857KD5X9
    • SCHEMBL1664034
    • DTXSID4051297
    • SCHEMBL29358140
    • SCHEMBL29823157
    • YWEWWNPYDDHZDI-JJKKTNRVSA-N
    • bis(3,4-dimethylbenzylidene)sorbitol
    • AKOS030623058
    • D-Sorbit-bis(3,4-dimethylbenzylidene)
    • DS-3552
    • FB173303
    • SY225364
    • B5693
    • CS-0162395
    • NS00077688
    • F16808
    • EN300-7383169
    • 1,3:2,4-Di(3,4-dimethylbenzylidene)-D-sorbitol
    • 861B562
    • F556601
    • Q27295858
    • (1R)-1-[(4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
    • 135861-56-2

  • Applications

    Dimethyldibenzylidene sorbitol (CAS 135861-56-2) is commonly used as an organogelator and thickener for nonpolar solvents and oils, enabling gel formation in cosmetic oil systems and other oil-based personal care formulations such as skin, hair, and lip care products; it may also function as a rheology modifier in household products including oil-based cleaners and polishes; in coatings and inks, it can act as a structuring agent to improve thickness, stability and flow control of nonpolar components; in industrial manufacturing, it is evaluated as a gel-forming additive for lubricants and grease formulations; in polymers/plastics contexts, it may serve as a crystallization modifier or phase-structure additive in nonpolar polymer systems; in pharmaceuticals, its role as an inert thickener in topical semi-solid dosage forms may be explored under formulation constraints. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.1
    methanol 8.72
    isopropanol 4.42
    water 0.23
    ethyl acetate 26.6
    n-propanol 6.53
    acetone 28.32
    n-butanol 6.39
    acetonitrile 9.58
    DMF 42.0
    toluene 14.07
    isobutanol 4.68
    1,4-dioxane 48.77
    methyl acetate 25.21
    THF 108.69
    2-butanone 23.79
    n-pentanol 6.51
    sec-butanol 4.62
    n-hexane 0.4
    ethylene glycol 2.37
    NMP 37.97
    cyclohexane 0.93
    DMSO 68.68
    n-butyl acetate 13.0
    n-octanol 7.31
    chloroform 89.22
    n-propyl acetate 13.45
    acetic acid 44.33
    dichloromethane 74.14
    cyclohexanone 41.24
    propylene glycol 2.57
    isopropyl acetate 20.56
    DMAc 96.53
    2-ethoxyethanol 29.67
    isopentanol 6.88
    n-heptane 1.01
    ethyl formate 14.05
    1,2-dichloroethane 40.34
    n-hexanol 6.22
    2-methoxyethanol 33.11
    isobutyl acetate 9.94
    tetrachloromethane 7.87
    n-pentyl acetate 18.7
    transcutol 123.78
    n-heptanol 8.19
    ethylbenzene 6.42
    MIBK 18.05
    2-propoxyethanol 31.43
    tert-butanol 8.22
    MTBE 11.87
    2-butoxyethanol 28.9
    propionic acid 14.78
    o-xylene 10.19
    formic acid 16.29
    diethyl ether 13.8
    m-xylene 10.19
    p-xylene 7.83
    chlorobenzene 19.82
    dimethyl carbonate 28.69
    n-octane 0.69
    formamide 24.35
    cyclopentanone 60.33
    2-pentanone 22.16
    anisole 17.6
    cyclopentyl methyl ether 33.45
    gamma-butyrolactone 69.89
    1-methoxy-2-propanol 24.36
    pyridine 32.95
    3-pentanone 21.73
    furfural 53.16
    n-dodecane 0.6
    diethylene glycol 21.4
    diisopropyl ether 5.53
    tert-amyl alcohol 7.21
    acetylacetone 51.75
    n-hexadecane 0.7
    acetophenone 22.28
    methyl propionate 26.94
    isopentyl acetate 15.65
    trichloroethylene 120.44
    n-nonanol 8.59
    cyclohexanol 8.1
    benzyl alcohol 14.92
    2-ethylhexanol 5.82
    isooctanol 7.99
    dipropyl ether 12.41
    1,2-dichlorobenzene 21.58
    ethyl lactate 11.57
    propylene carbonate 28.17
    n-methylformamide 17.07
    2-pentanol 4.45
    n-pentane 0.48
    1-propoxy-2-propanol 20.81
    1-methoxy-2-propyl acetate 30.3
    2-(2-methoxypropoxy) propanol 29.48
    mesitylene 6.21
    ε-caprolactone 38.26
    p-cymene 5.76
    epichlorohydrin 96.44
    1,1,1-trichloroethane 34.57
    2-aminoethanol 4.69
    morpholine-4-carbaldehyde 63.02
    sulfolane 73.96
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 33.08
    n-hexyl acetate 19.15
    isooctane 0.53
    2-(2-butoxyethoxy)ethanol 41.12
    sec-butyl acetate 11.29
    tert-butyl acetate 25.28
    decalin 0.92
    glycerin 7.85
    diglyme 90.74
    acrylic acid 18.4
    isopropyl myristate 8.82
    n-butyric acid 23.37
    acetyl acetate 35.77
    di(2-ethylhexyl) phthalate 10.77
    ethyl propionate 14.92
    nitromethane 74.79
    1,2-diethoxyethane 31.92
    benzonitrile 11.85
    trioctyl phosphate 7.9
    1-bromopropane 12.59
    gamma-valerolactone 85.81
    n-decanol 5.96
    triethyl phosphate 12.46
    4-methyl-2-pentanol 4.99
    propionitrile 7.82
    vinylene carbonate 29.87
    1,1,2-trichlorotrifluoroethane 64.21
    DMS 24.44
    cumene 4.8
    2-octanol 5.68
    2-hexanone 14.24
    octyl acetate 11.41
    limonene 7.07
    1,2-dimethoxyethane 52.27
    ethyl orthosilicate 12.94
    tributyl phosphate 8.68
    diacetone alcohol 26.72
    N,N-dimethylaniline 14.25
    acrylonitrile 13.21
    aniline 15.61
    1,3-propanediol 10.46
    bromobenzene 21.67
    dibromomethane 37.17
    1,1,2,2-tetrachloroethane 79.39
    2-methyl-cyclohexyl acetate 14.47
    tetrabutyl urea 12.17
    diisobutyl methanol 5.72
    2-phenylethanol 14.93
    styrene 7.25
    dioctyl adipate 15.05
    dimethyl sulfate 47.84
    ethyl butyrate 14.24
    methyl lactate 17.22
    butyl lactate 15.55
    diethyl carbonate 11.6
    propanediol butyl ether 18.04
    triethyl orthoformate 15.72
    p-tert-butyltoluene 6.35
    methyl 4-tert-butylbenzoate 31.46
    morpholine 41.99
    tert-butylamine 3.89
    n-dodecanol 4.3
    dimethoxymethane 54.44
    ethylene carbonate 25.75
    cyrene 31.85
    2-ethoxyethyl acetate 37.14
    2-ethylhexyl acetate 11.51
    1,2,4-trichlorobenzene 26.78
    4-methylpyridine 27.29
    dibutyl ether 10.17
    2,6-dimethyl-4-heptanol 5.72
    DEF 28.94
    dimethyl isosorbide 57.19
    tetrachloroethylene 49.69
    eugenol 25.63
    triacetin 35.04
    span 80 20.88
    1,4-butanediol 4.58
    1,1-dichloroethane 28.18
    2-methyl-1-pentanol 6.92
    methyl formate 21.24
    2-methyl-1-butanol 5.94
    n-decane 1.15
    butyronitrile 6.91
    3,7-dimethyl-1-octanol 7.98
    1-chlorooctane 4.94
    1-chlorotetradecane 2.01
    n-nonane 0.93
    undecane 0.8
    tert-butylcyclohexane 0.84
    cyclooctane 0.68
    cyclopentanol 10.29
    tetrahydropyran 27.34
    tert-amyl methyl ether 11.16
    2,5,8-trioxanonane 61.1
    1-hexene 1.68
    2-isopropoxyethanol 21.57
    2,2,2-trifluoroethanol 25.32
    methyl butyrate 17.03

    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