1,2,3-Propanetriol, 1,3-diacetate

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  • Identifiers

    CAS number
    105-70-4

    Molecular formula
    C7H12O5

    SMILES
    CC(=O)OCC(COC(=O)C)O

  • Odor profile

    Fragrance
    Fruity 65.11%
    Ethereal 41.26%
    Odorless 34.58%
    Winey 34.56%
    Caramellic 28.18%
    Sweet 27.77%
    Buttery 27.75%
    Alcoholic 25.17%
    Fresh 23.89%
    Creamy 23.27%

     

    Flavor
    Fruity 75.44%
    Bitter 51.64%
    Mild 41.66%
    Tropical 37.05%
    Creamy 36.43%
    Odorless 32.77%
    Buttery 31.45%
    Sweet 31.43%
    Fruit 29.99%
    Grape 27.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    7.84 (neutral)

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    256°C

    Flash point

    • 134.42 ˚C est.

  • Synonyms

    • 1,3-Diacetin
    • 105-70-4
    • 2-Hydroxypropane-1,3-diyl diacetate
    • Glyceryl 1,3-diacetate
    • 1,2,3-Propanetriol,1,3-diacetate
    • (3-acetyloxy-2-hydroxypropyl) acetate
    • 1,2,3-Propanetriol, 1,3-diacetate
    • G45CU3Z186
    • 3-(acetyloxy)-2-hydroxypropyl acetate
    • 1,3-Diacetin (Technical grade, ~50per cent)
    • 1,3-Diacetin (Technical grade, ~50%)
    • UNII-G45CU3Z186
    • Glycerol alpha,alpha'-Diacetate
    • 1,3-Diacetoxy-2-propanol; Glycerine 1,3-Diacetate; Glycerol 1,3-Diacetate; 1,2,3-Propanetriol 1,3-Diacetate
    • EINECS 203-323-7
    • MFCD00008717
    • 1,3-diacetoxy-propan-2-ol
    • SCHEMBL304203
    • 1,3-DIACETATE GLYCEROL
    • GLYCERYL-1,3-DIACETATE
    • DTXSID90146906
    • MPPODKLDCLFLKT-UHFFFAOYSA-N
    • 2-Hydroxypropane-1,3-diyldiacetate
    • AAA10570
    • 1,3-DIACETIN [USP IMPURITY]
    • AKOS030241027
    • CS-0256205
    • G0077
    • NS00020049
    • H27316
    • EN300-1720641
    • Q27278722

  • Applications

    1,2,3-Propanetriol, 1,3-diacetate (CAS number: 105-70-4) is commonly used as a plasticizer for cellulose derivatives and polyvinyl plastics to improve flexibility; it serves as a solvent and dissolving medium for dyes, fragrances, and resins in coatings, inks, and cosmetic formulations; it functions as a humectant and solvent in cosmetics and personal-care products; it is employed as a carrier solvent for flavors, fragrances, and extracts in food-processing environments (subject to regulatory limits); it acts as an additive in adhesives, coatings, and sealants to enhance film-forming properties and flexibility; and it is used as an intermediate in organic synthesis and in industrial manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.81
    methanol 73.08
    isopropanol 31.51
    water 50.87
    ethyl acetate 18.56
    n-propanol 20.97
    acetone 53.74
    n-butanol 14.42
    acetonitrile 25.25
    DMF 322.12
    toluene 3.88
    isobutanol 15.46
    1,4-dioxane 32.76
    methyl acetate 34.51
    THF 66.44
    2-butanone 29.92
    n-pentanol 10.85
    sec-butanol 20.98
    n-hexane 1.77
    ethylene glycol 32.02
    NMP 294.55
    cyclohexane 0.87
    DMSO 354.55
    n-butyl acetate 10.79
    n-octanol 9.97
    chloroform 22.43
    n-propyl acetate 13.19
    acetic acid 68.4
    dichloromethane 30.75
    cyclohexanone 39.92
    propylene glycol 32.66
    isopropyl acetate 12.88
    DMAc 437.93
    2-ethoxyethanol 54.26
    isopentanol 13.89
    n-heptane 1.09
    ethyl formate 41.43
    1,2-dichloroethane 20.56
    n-hexanol 6.89
    2-methoxyethanol 110.59
    isobutyl acetate 8.64
    tetrachloromethane 3.83
    n-pentyl acetate 7.54
    transcutol 78.38
    n-heptanol 5.29
    ethylbenzene 4.74
    MIBK 15.0
    2-propoxyethanol 32.47
    tert-butanol 51.85
    MTBE 23.03
    2-butoxyethanol 17.25
    propionic acid 35.94
    o-xylene 7.02
    formic acid 113.62
    diethyl ether 10.7
    m-xylene 4.68
    p-xylene 6.75
    chlorobenzene 6.13
    dimethyl carbonate 24.59
    n-octane 0.9
    formamide 121.0
    cyclopentanone 62.57
    2-pentanone 18.18
    anisole 16.81
    cyclopentyl methyl ether 18.78
    gamma-butyrolactone 108.66
    1-methoxy-2-propanol 66.42
    pyridine 20.76
    3-pentanone 16.13
    furfural 123.88
    n-dodecane 1.18
    diethylene glycol 47.9
    diisopropyl ether 3.87
    tert-amyl alcohol 37.61
    acetylacetone 34.19
    n-hexadecane 1.25
    acetophenone 23.83
    methyl propionate 27.22
    isopentyl acetate 11.67
    trichloroethylene 30.8
    n-nonanol 9.32
    cyclohexanol 13.04
    benzyl alcohol 17.03
    2-ethylhexanol 5.94
    isooctanol 5.25
    dipropyl ether 7.79
    1,2-dichlorobenzene 9.83
    ethyl lactate 20.3
    propylene carbonate 52.16
    n-methylformamide 112.65
    2-pentanol 9.51
    n-pentane 1.08
    1-propoxy-2-propanol 23.23
    1-methoxy-2-propyl acetate 19.6
    2-(2-methoxypropoxy) propanol 42.16
    mesitylene 3.71
    ε-caprolactone 43.73
    p-cymene 4.38
    epichlorohydrin 66.7
    1,1,1-trichloroethane 13.03
    2-aminoethanol 39.19
    morpholine-4-carbaldehyde 185.76
    sulfolane 184.25
    2,2,4-trimethylpentane 1.29
    2-methyltetrahydrofuran 33.08
    n-hexyl acetate 13.65
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 36.45
    sec-butyl acetate 9.42
    tert-butyl acetate 17.88
    decalin 1.45
    glycerin 79.17
    diglyme 68.79
    acrylic acid 40.76
    isopropyl myristate 7.74
    n-butyric acid 27.53
    acetyl acetate 15.92
    di(2-ethylhexyl) phthalate 11.66
    ethyl propionate 16.47
    nitromethane 145.27
    1,2-diethoxyethane 16.94
    benzonitrile 16.88
    trioctyl phosphate 7.42
    1-bromopropane 9.49
    gamma-valerolactone 125.62
    n-decanol 7.47
    triethyl phosphate 14.27
    4-methyl-2-pentanol 7.43
    propionitrile 18.6
    vinylene carbonate 52.69
    1,1,2-trichlorotrifluoroethane 80.56
    DMS 20.33
    cumene 4.97
    2-octanol 5.17
    2-hexanone 14.12
    octyl acetate 9.16
    limonene 5.71
    1,2-dimethoxyethane 99.72
    ethyl orthosilicate 12.55
    tributyl phosphate 10.89
    diacetone alcohol 37.2
    N,N-dimethylaniline 22.43
    acrylonitrile 31.22
    aniline 12.08
    1,3-propanediol 41.06
    bromobenzene 5.03
    dibromomethane 15.91
    1,1,2,2-tetrachloroethane 30.17
    2-methyl-cyclohexyl acetate 13.01
    tetrabutyl urea 19.23
    diisobutyl methanol 5.98
    2-phenylethanol 10.27
    styrene 4.79
    dioctyl adipate 14.08
    dimethyl sulfate 80.94
    ethyl butyrate 12.54
    methyl lactate 38.17
    butyl lactate 13.39
    diethyl carbonate 12.29
    propanediol butyl ether 28.07
    triethyl orthoformate 13.19
    p-tert-butyltoluene 4.67
    methyl 4-tert-butylbenzoate 28.05
    morpholine 46.69
    tert-butylamine 24.45
    n-dodecanol 6.31
    dimethoxymethane 73.34
    ethylene carbonate 36.91
    cyrene 50.06
    2-ethoxyethyl acetate 12.98
    2-ethylhexyl acetate 9.02
    1,2,4-trichlorobenzene 12.97
    4-methylpyridine 31.27
    dibutyl ether 10.53
    2,6-dimethyl-4-heptanol 5.98
    DEF 53.33
    dimethyl isosorbide 58.16
    tetrachloroethylene 16.53
    eugenol 27.33
    triacetin 27.81
    span 80 23.64
    1,4-butanediol 18.94
    1,1-dichloroethane 14.32
    2-methyl-1-pentanol 10.92
    methyl formate 93.47
    2-methyl-1-butanol 13.29
    n-decane 1.77
    butyronitrile 15.58
    3,7-dimethyl-1-octanol 10.9
    1-chlorooctane 5.23
    1-chlorotetradecane 2.87
    n-nonane 1.57
    undecane 1.4
    tert-butylcyclohexane 1.67
    cyclooctane 0.57
    cyclopentanol 20.2
    tetrahydropyran 15.92
    tert-amyl methyl ether 21.46
    2,5,8-trioxanonane 61.85
    1-hexene 4.53
    2-isopropoxyethanol 29.01
    2,2,2-trifluoroethanol 49.52
    methyl butyrate 25.56

    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