Diglycerin

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  • Identifiers

    CAS number
    59113-36-9

    Molecular formula
    C6H14O5

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.99%
    Alcoholic 33.52%
    Sweet 28.1%
    Fishy 22.01%
    Ethereal 19.96%
    Oily 18.85%
    Solvent 17.73%
    Buttery 17.07%
    Clean 15.99%
    Caramellic 14.65%

     

    Flavor
    Odorless 71.82%
    Sweet 65.64%
    Sweet-like 33.13%
    Very mild 23.46%
    Very slight 23.4%
    Alcoholic 21.14%
    Cauliflower 20.6%
    Bitter 20.31%
    Soup 19.56%
    Acetoin 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.5

    pKa est.
    5.91 (weak acid)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    418°C

    Flash point

    • 203.17 ˚C est.

  • Synonyms

    • Diglycerol
    • Diglycerin
    • 3-(2,3-dihydroxypropoxy)propane-1,2-diol
    • 3-glyceryloxypropane-1,2-diol
    • 3YC120743U
    • Glycerol dimer
    • RESASSOL DN
    • DIGLYCERIN 801
    • GREAT OIL DI 1
    • RefChem:1083566
    • Beautyturess 80gTanning Cream
    • DTXSID10891325
    • Beautyturess 80g Shiny Tanning Cream
    • 261-605-5
    • 59113-36-9
    • 627-82-7
    • Diglycerine
    • alpha,alpha'-Diglycerol
    • 3,3'-Oxybis(propane-1,2-diol)
    • 1,2-Propanediol, 3,3'-oxybis-
    • .alpha.,.alpha.'-Diglycerol
    • 4-Oxaheptane-1,2,6,7-tetrol
    • MFCD00049316
    • UC0A740LR3
    • 3,3'-Oxydi(propane-1,2-diol)
    • NSC-8689
    • glyceryl ether
    • UNII-UC0A740LR3
    • diglyceryl ether
    • 3,3'-Oxydi(propylene glycol)
    • 3,2-propanediol
    • NSC8689
    • 1,2-Propanediol, 3,3'-oxydi-
    • Oxydi(propanediol)
    • 3,3'-Oxydi-1,2-propanediol; 4-Oxaheptane-1,2,6,7-tetrol; Bis(2,3-dihydroxypropyl) Ether; NSC 8689
    • EINECS 211-013-8
    • Tetrahydroxydipropyl Ether
    • 1, 3,3'-oxybis-
    • 1, 3,3'-oxydi-
    • Diglycerol (isomers mixture)
    • SCHEMBL30754
    • 4-Oxaheptane-1,6,7-tetrol
    • 3,3'-oxydipropane-1,2-diol
    • 1,2,3-Propanetriol; Glycerin
    • 3,3'-Oxydi-1,2-propanediol
    • SCHEMBL11478187
    • UNII-3YC120743U
    • GPLRAVKSCUXZTP-UHFFFAOYSA-
    • DTXSID90872273
    • CHEBI:140430
    • DIGLYCERIN, ALPHA,ALPHA'-
    • bis-(2,3-dihydroxy-propyl)-ether
    • NSC 8689
    • EINECS 261-605-5
    • .ALPHA.,.ALPHA.'-DIGLYCERIN
    • AKOS015915864
    • Glycerol; Myo-Inositol EP Impurity B
    • FD39315
    • DIGLYCERIN, .ALPHA.,.ALPHA.'-
    • SY053494
    • DB-053322
    • CS-0197339
    • NS00009635
    • T0119
    • EC 261-605-5
    • F71162
    • .ALPHA.,.ALPHA.'-DIGLYCEROL, (+/-)-
    • EN300-7701666
    • F130200
    • Q27291013
    • InChI=1/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2
    • 51493-70-0
    • 59113-36-9

  • Applications

    Diglycerin, CAS 59113-36-9, is commonly used as a humectant and plasticizer in cosmetics and personal care; it also functions as a solvent or processing aid in polymer formulations and coatings, and can serve as an intermediate in chemical synthesis and plastics production; it is used in cleaning and household formulations as a humectant and solvent, and may be employed as an additive in inks and coatings to improve moisture retention and formulation stability; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.38
    methanol 238.5
    isopropanol 12.75
    water 1858.21
    ethyl acetate 1.99
    n-propanol 27.39
    acetone 4.22
    n-butanol 13.33
    acetonitrile 3.83
    DMF 297.83
    toluene 0.29
    isobutanol 9.73
    1,4-dioxane 10.95
    methyl acetate 2.78
    THF 11.38
    2-butanone 2.84
    n-pentanol 3.91
    sec-butanol 9.97
    n-hexane 0.19
    ethylene glycol 452.34
    NMP 221.3
    cyclohexane 1.32
    DMSO 629.45
    n-butyl acetate 1.68
    n-octanol 2.45
    chloroform 1.37
    n-propyl acetate 1.48
    acetic acid 190.43
    dichloromethane 1.84
    cyclohexanone 9.06
    propylene glycol 211.94
    isopropyl acetate 1.12
    DMAc 123.07
    2-ethoxyethanol 42.33
    isopentanol 5.43
    n-heptane 0.8
    ethyl formate 7.16
    1,2-dichloroethane 1.98
    n-hexanol 4.04
    2-methoxyethanol 170.12
    isobutyl acetate 0.69
    tetrachloromethane 0.81
    n-pentyl acetate 1.32
    transcutol 42.02
    n-heptanol 2.91
    ethylbenzene 0.27
    MIBK 1.22
    2-propoxyethanol 22.79
    tert-butanol 11.47
    MTBE 1.59
    2-butoxyethanol 12.43
    propionic acid 52.16
    o-xylene 0.79
    formic acid 1110.85
    diethyl ether 1.37
    m-xylene 0.48
    p-xylene 0.38
    chlorobenzene 0.38
    dimethyl carbonate 5.81
    n-octane 0.3
    formamide 672.71
    cyclopentanone 13.55
    2-pentanone 1.99
    anisole 1.03
    cyclopentyl methyl ether 4.69
    gamma-butyrolactone 27.2
    1-methoxy-2-propanol 54.71
    pyridine 4.35
    3-pentanone 2.27
    furfural 34.98
    n-dodecane 0.18
    diethylene glycol 78.42
    diisopropyl ether 0.46
    tert-amyl alcohol 9.88
    acetylacetone 3.78
    n-hexadecane 0.19
    acetophenone 2.46
    methyl propionate 5.28
    isopentyl acetate 1.29
    trichloroethylene 2.74
    n-nonanol 2.16
    cyclohexanol 13.84
    benzyl alcohol 3.94
    2-ethylhexanol 2.06
    isooctanol 2.08
    dipropyl ether 2.15
    1,2-dichlorobenzene 0.71
    ethyl lactate 9.12
    propylene carbonate 11.43
    n-methylformamide 183.38
    2-pentanol 4.14
    n-pentane 0.36
    1-propoxy-2-propanol 13.14
    1-methoxy-2-propyl acetate 4.28
    2-(2-methoxypropoxy) propanol 13.03
    mesitylene 0.62
    ε-caprolactone 12.15
    p-cymene 0.84
    epichlorohydrin 8.42
    1,1,1-trichloroethane 0.61
    2-aminoethanol 313.62
    morpholine-4-carbaldehyde 122.8
    sulfolane 127.23
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 5.07
    n-hexyl acetate 1.84
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 16.86
    sec-butyl acetate 0.74
    tert-butyl acetate 1.59
    decalin 0.33
    glycerin 475.23
    diglyme 30.12
    acrylic acid 92.57
    isopropyl myristate 0.78
    n-butyric acid 22.91
    acetyl acetate 1.98
    di(2-ethylhexyl) phthalate 2.43
    ethyl propionate 1.74
    nitromethane 79.69
    1,2-diethoxyethane 2.41
    benzonitrile 1.59
    trioctyl phosphate 2.0
    1-bromopropane 0.67
    gamma-valerolactone 39.38
    n-decanol 1.56
    triethyl phosphate 3.1
    4-methyl-2-pentanol 1.71
    propionitrile 3.27
    vinylene carbonate 11.78
    1,1,2-trichlorotrifluoroethane 63.94
    DMS 2.73
    cumene 0.36
    2-octanol 1.4
    2-hexanone 1.08
    octyl acetate 1.23
    limonene 1.46
    1,2-dimethoxyethane 19.63
    ethyl orthosilicate 2.63
    tributyl phosphate 2.12
    diacetone alcohol 8.89
    N,N-dimethylaniline 2.19
    acrylonitrile 6.91
    aniline 2.66
    1,3-propanediol 163.57
    bromobenzene 0.25
    dibromomethane 1.14
    1,1,2,2-tetrachloroethane 3.63
    2-methyl-cyclohexyl acetate 2.2
    tetrabutyl urea 4.19
    diisobutyl methanol 1.72
    2-phenylethanol 2.83
    styrene 0.29
    dioctyl adipate 2.32
    dimethyl sulfate 24.65
    ethyl butyrate 2.14
    methyl lactate 28.72
    butyl lactate 5.9
    diethyl carbonate 1.73
    propanediol butyl ether 22.1
    triethyl orthoformate 2.85
    p-tert-butyltoluene 0.95
    methyl 4-tert-butylbenzoate 5.75
    morpholine 27.51
    tert-butylamine 4.24
    n-dodecanol 1.22
    dimethoxymethane 22.64
    ethylene carbonate 8.61
    cyrene 31.93
    2-ethoxyethyl acetate 2.2
    2-ethylhexyl acetate 1.08
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 2.04
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 1.72
    DEF 17.32
    dimethyl isosorbide 17.91
    tetrachloroethylene 4.07
    eugenol 8.5
    triacetin 5.05
    span 80 15.06
    1,4-butanediol 50.45
    1,1-dichloroethane 0.56
    2-methyl-1-pentanol 2.36
    methyl formate 61.0
    2-methyl-1-butanol 7.37
    n-decane 0.28
    butyronitrile 2.21
    3,7-dimethyl-1-octanol 1.93
    1-chlorooctane 0.56
    1-chlorotetradecane 0.29
    n-nonane 0.29
    undecane 0.21
    tert-butylcyclohexane 0.21
    cyclooctane 0.63
    cyclopentanol 20.8
    tetrahydropyran 4.64
    tert-amyl methyl ether 2.11
    2,5,8-trioxanonane 24.77
    1-hexene 0.3
    2-isopropoxyethanol 11.49
    2,2,2-trifluoroethanol 118.81
    methyl butyrate 3.15

    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