Diacetin

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  • Identifiers

    CAS number
    102-62-5

    Molecular formula
    C7H12O5

    SMILES
    CC(=O)OCC(CO)OC(=O)C

  • Odor profile

    Fruity 51.89%
    Odorless 44.55%
    Ethereal 33.51%
    Winey 28.37%
    Alcoholic 25.86%
    Buttery 25.01%
    Creamy 22.86%
    Caramellic 22.33%
    Sour 22.17%
    Milky 21.89%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.3

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    262°C

    Flash point est.
    126.71 ˚C

    Solubility expt.

    • Soluble in water. Miscible with ethanol

  • Synonyms

    • 102-62-5
    • 1,2,3-Propanetriol, diacetate
    • 3-Hydroxypropane-1,2-diyl diacetate
    • 1,2-Diacetin
    • Glycerol diacetate
    • 1,2-Diacetylglycerol
    • Glyceryl diacetate
    • 1,2-diacylglycerol
    • 2,3-Diacetin
    • Glycerol 1,2-diacetate
    • Glycerin diacetate
    • Acetin, di-
    • 1,2,3-Propanetriol, 1,2-diacetate
    • (2-acetyloxy-3-hydroxypropyl) acetate
    • Glycerine diacetate
    • (Hydroxymethyl)ethylene acetate
    • Acetin, 1,2-di-
    • Estol 1582
    • Estol 1583
    • 2,3-Diacetoxypropan-1-ol
    • Acetic acid, diglyceride
    • NSC 2348
    • EINECS 246-941-2
    • CCRIS 9354
    • AI3-00676
    • glyceryl 1,2-diacetate
    • 1-(acetyloxy)-3-hydroxypropan-2-yl acetate
    • GJ0544W99Q
    • NSC-2348
    • 9W955270ZW
    • 1,2-Diacetin (~90%)
    • Diacetin (Mixture) (Technical Grade)
    • Glycerol 1,3-di(acetate)
    • BRN 1775840
    • UNII-GJ0544W99Q
    • CCRIS 9462
    • UNII-9W955270ZW
    • Diacetyl glycerine
    • (Hydroxymethyl)ethylene Acetate; 1,2-Diacetylglycerol; 2,3-Diacetin; 2,3-Diacetoxypropan-1-ol; Glycerol 1,2-Diacetate; NSC 2348
    • Acetin,2-di-
    • 1,2-Diacetin-d5
    • DIACETIN [INCI]
    • DIACETIN [MI]
    • 2-(Acetyloxy)-1-(hydroxymethyl)ethyl acetate
    • DL-1,2-DIACETIN
    • WLN: 1VOY1Q1OV1
    • SCHEMBL77521
    • 3-02-00-00331 (Beilstein Handbook Reference)
    • 1,2,3 propanetriol diacetate
    • 1,2-DIACETIN, DL-
    • propane-1,2,3-triol diacetate
    • CHEBI:88156
    • DAG 4:0
    • DTXSID70883105
    • NSC2348
    • (+/-)-Glycerol 1,2-diacetate
    • CHEBI:173246
    • 1,3-Propanetriol, 1,2-diacetate
    • 3-Hydroxypropane-1,2-diyldiacetate
    • AAA10262
    • AKOS006273209
    • 1,2-DIACETIN, (+/-)-
    • (1-acetyloxy-3-hydroxypropan-2-yl)acetate
    • DB-046694
    • CS-0236630
    • NS00013555
    • EN300-1720881
    • A877596
    • Q24300357
    • Z1198148277
    • 2-(Acetyloxy)-1-(hydroxymethyl)ethyl acetate, AldrichCPR
    • 101364-64-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.66
    methanol 236.52
    isopropanol 65.48
    water 112.29
    ethyl acetate 33.24
    n-propanol 57.81
    acetone 125.82
    n-butanol 38.04
    acetonitrile 72.39
    DMF 820.4
    toluene 8.9
    isobutanol 36.25
    1,4-dioxane 84.25
    methyl acetate 64.02
    THF 118.0
    2-butanone 60.24
    n-pentanol 21.19
    sec-butanol 42.34
    n-hexane 2.87
    ethylene glycol 98.77
    NMP 631.39
    cyclohexane 2.34
    DMSO 932.24
    n-butyl acetate 16.27
    n-octanol 10.16
    chloroform 36.21
    n-propyl acetate 19.6
    acetic acid 252.75
    dichloromethane 62.71
    cyclohexanone 74.34
    propylene glycol 68.59
    isopropyl acetate 18.34
    DMAc 794.04
    2-ethoxyethanol 110.0
    isopentanol 31.01
    n-heptane 1.3
    ethyl formate 87.63
    1,2-dichloroethane 49.55
    n-hexanol 10.87
    2-methoxyethanol 255.28
    isobutyl acetate 11.0
    tetrachloromethane 7.48
    n-pentyl acetate 8.23
    transcutol 134.74
    n-heptanol 5.51
    ethylbenzene 8.35
    MIBK 18.85
    2-propoxyethanol 48.5
    tert-butanol 88.02
    MTBE 41.47
    2-butoxyethanol 20.98
    propionic acid 98.13
    o-xylene 14.61
    formic acid 439.17
    diethyl ether 23.52
    m-xylene 8.28
    p-xylene 12.25
    chlorobenzene 14.4
    dimethyl carbonate 44.34
    n-octane 0.67
    formamide 463.55
    cyclopentanone 115.72
    2-pentanone 31.42
    anisole 34.02
    cyclopentyl methyl ether 32.99
    gamma-butyrolactone 196.44
    1-methoxy-2-propanol 110.57
    pyridine 59.41
    3-pentanone 29.65
    furfural 262.51
    n-dodecane 0.75
    diethylene glycol 80.5
    diisopropyl ether 5.56
    tert-amyl alcohol 68.15
    acetylacetone 57.75
    n-hexadecane 0.82
    acetophenone 43.35
    methyl propionate 44.41
    isopentyl acetate 17.04
    trichloroethylene 73.79
    n-nonanol 9.34
    cyclohexanol 29.3
    benzyl alcohol 34.84
    2-ethylhexanol 8.38
    isooctanol 5.19
    dipropyl ether 9.7
    1,2-dichlorobenzene 20.31
    ethyl lactate 28.31
    propylene carbonate 92.57
    n-methylformamide 318.31
    2-pentanol 16.6
    n-pentane 2.25
    1-propoxy-2-propanol 29.01
    1-methoxy-2-propyl acetate 26.31
    2-(2-methoxypropoxy) propanol 56.51
    mesitylene 6.07
    ε-caprolactone 77.62
    p-cymene 6.19
    epichlorohydrin 136.36
    1,1,1-trichloroethane 21.16
    2-aminoethanol 115.93
    morpholine-4-carbaldehyde 361.99
    sulfolane 315.95
    2,2,4-trimethylpentane 1.92
    2-methyltetrahydrofuran 64.2
    n-hexyl acetate 15.97
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 47.91
    sec-butyl acetate 12.9
    tert-butyl acetate 23.05
    decalin 2.38
    glycerin 163.51
    diglyme 101.7
    acrylic acid 123.49
    isopropyl myristate 7.79
    n-butyric acid 62.07
    acetyl acetate 32.05
    di(2-ethylhexyl) phthalate 15.04
    ethyl propionate 24.16
    nitromethane 418.54
    1,2-diethoxyethane 22.77
    benzonitrile 33.83
    trioctyl phosphate 8.54
    1-bromopropane 18.36
    gamma-valerolactone 223.37
    n-decanol 6.95
    triethyl phosphate 19.96
    4-methyl-2-pentanol 10.41
    propionitrile 39.4
    vinylene carbonate 97.99
    1,1,2-trichlorotrifluoroethane 169.12
    DMS 27.63
    cumene 7.43
    2-octanol 4.5
    2-hexanone 21.31
    octyl acetate 9.44
    limonene 8.63
    1,2-dimethoxyethane 193.52
    ethyl orthosilicate 16.93
    tributyl phosphate 13.63
    diacetone alcohol 47.61
    N,N-dimethylaniline 39.16
    acrylonitrile 69.5
    aniline 30.98
    1,3-propanediol 108.67
    bromobenzene 10.77
    dibromomethane 31.85
    1,1,2,2-tetrachloroethane 59.54
    2-methyl-cyclohexyl acetate 18.55
    tetrabutyl urea 24.06
    diisobutyl methanol 6.55
    2-phenylethanol 16.16
    styrene 9.66
    dioctyl adipate 18.09
    dimethyl sulfate 142.69
    ethyl butyrate 17.99
    methyl lactate 59.27
    butyl lactate 15.47
    diethyl carbonate 18.09
    propanediol butyl ether 34.34
    triethyl orthoformate 17.39
    p-tert-butyltoluene 6.09
    methyl 4-tert-butylbenzoate 34.56
    morpholine 119.55
    tert-butylamine 41.41
    n-dodecanol 5.39
    dimethoxymethane 143.33
    ethylene carbonate 67.06
    cyrene 77.77
    2-ethoxyethyl acetate 16.72
    2-ethylhexyl acetate 13.48
    1,2,4-trichlorobenzene 27.61
    4-methylpyridine 72.52
    dibutyl ether 10.2
    2,6-dimethyl-4-heptanol 6.55
    DEF 105.78
    dimethyl isosorbide 84.57
    tetrachloroethylene 40.24
    eugenol 33.72
    triacetin 33.22
    span 80 28.7
    1,4-butanediol 41.63
    1,1-dichloroethane 26.4
    2-methyl-1-pentanol 21.46
    methyl formate 232.05
    2-methyl-1-butanol 31.29
    n-decane 1.21
    butyronitrile 31.93
    3,7-dimethyl-1-octanol 11.75
    1-chlorooctane 4.53
    1-chlorotetradecane 2.21
    n-nonane 1.13
    undecane 0.91
    tert-butylcyclohexane 2.16
    cyclooctane 1.0
    cyclopentanol 42.58
    tetrahydropyran 36.76
    tert-amyl methyl ether 35.23
    2,5,8-trioxanonane 90.15
    1-hexene 7.61
    2-isopropoxyethanol 47.32
    2,2,2-trifluoroethanol 137.86
    methyl butyrate 39.8

    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