Triglycol diacetate

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  • Identifiers

    CAS number
    111-21-7

    Molecular formula
    C10H18O6

    SMILES
    CC(=O)OCCOCCOCCOC(=O)C

  • Odor profile

    Fruity 49.24%
    Ethereal 46.36%
    Alcoholic 37.41%
    Sweet 33.03%
    Odorless 31.74%
    Solvent 27.21%
    Fresh 25.81%
    Winey 24.34%
    Oily 23.41%
    Buttery 21.61%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.3

    Molecular weight
    234.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -58 °F (NTP, 1992)
    • -50 °C

    Boiling point

    • 572 °F at 760 mmHg (NTP, 1992)
    • 286 °C

    Flash point est.
    142.2 ˚C

    Flash point expt.

    • 345 °F (NTP, 1992)
    • 345 °F (174 °C) (OPEN CUP)

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • MISCIBLE WITH ALCOHOL, ETHER
    • Very soluble in water, ethyl ether, and ethanol.

  • Synonyms

    • Triethylene glycol diacetate
    • 111-21-7
    • TDAC
    • TRIGLYCOL DIACETATE
    • Triethylene glycol, diacetate
    • Triglycol, diacetate
    • triethyleneglycoldiacetate
    • 2,2'-(Ethylenedioxy)di(ethyl acetate)
    • Acetic acid, triethylene glycol diester
    • HSDB 5547
    • Ethanol, 2,2'-ethylenedioxydi-, diacetate
    • NSC 2591
    • EINECS 203-846-0
    • 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl acetate
    • BRN 1789453
    • DTXSID3026223
    • AI3-02502
    • Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate
    • NSC-2591
    • A559792B4Q
    • DTXCID806223
    • EC 203-846-0
    • TRIGLYCOL DIACETATE [HSDB]
    • 2,2'-(Ethane-1,2-diylbis(oxy))bisethyl diacetate
    • 2,2'-(1,2-Ethanediylbis(oxy))bisethanol, diacetate
    • 2-{2-[2-(ACETYLOXY)ETHOXY]ETHOXY}ETHYL ACETATE
    • Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, diacetate
    • 2,2'-[Ethane-1,2-diylbis(oxy)]bisethyl diacetate
    • Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, 1,1'-diacetate
    • CAS-111-21-7
    • ethane-1,2-diylbis(oxyethane-2,1-diyl) diacetate
    • Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate
    • UNII-A559792B4Q
    • Ethylenebis-(2-oxyethyl acetate)
    • MFCD00026213
    • triethyleneglycol diacetate
    • ESTOL 1593
    • ETHANOL, 2,2'-
    • SCHEMBL1121858
    • CHEMBL3186191
    • WLN: 1VO2O 22
    • NSC2591
    • Tox21_201270
    • Tox21_300597
    • 1,2-BIS(ACETOXYETHOXY)ETHANE
    • 2,2'(Ethylenedioxy)di(ethyl acetate)
    • AKOS015912441
    • Ethanol,2'-ethylenedioxydi-, diacetate
    • Ethanol, 2,2'ethylenedioxydi, diacetate
    • NCGC00248100-01
    • NCGC00248100-02
    • NCGC00254353-01
    • NCGC00258822-01
    • AS-59418
    • CS-0154994
    • NS00011511
    • T0923
    • 2,2'(Ethane1,2diylbis(oxy))bisethyl diacetate
    • F87500
    • 2,2'(1,2Ethanediylbis(oxy))bisethanol, diacetate
    • 2-(2-[2-(Acetyloxy)ethoxy]ethoxy)ethyl acetate #
    • Ethanol, 2,2'(1,2ethanediylbis(oxy))bis, diacetate
    • Ethanol,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate
    • Q27273649
    • Ethanol, 2,2'((1,2ethanediyl)bis(oxy))bis, 1,1'diacetate
    • ETHANOL,2,2'-(1,2-ETHANEDIYLBIS(OXY))BIS-, DIACETATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.2
    methanol 58.85
    isopropanol 14.66
    water 5.72
    ethyl acetate 37.52
    n-propanol 13.62
    acetone 75.0
    n-butanol 8.42
    acetonitrile 64.57
    DMF 249.1
    toluene 21.91
    isobutanol 8.86
    1,4-dioxane 85.7
    methyl acetate 52.83
    THF 117.25
    2-butanone 41.07
    n-pentanol 7.21
    sec-butanol 10.86
    n-hexane 2.86
    ethylene glycol 12.13
    NMP 329.47
    cyclohexane 7.41
    DMSO 448.17
    n-butyl acetate 10.66
    n-octanol 4.8
    chloroform 141.09
    n-propyl acetate 19.41
    acetic acid 111.96
    dichloromethane 184.42
    cyclohexanone 71.4
    propylene glycol 8.26
    isopropyl acetate 17.7
    DMAc 381.45
    2-ethoxyethanol 40.72
    isopentanol 6.84
    n-heptane 1.72
    ethyl formate 38.42
    1,2-dichloroethane 95.36
    n-hexanol 3.54
    2-methoxyethanol 72.69
    isobutyl acetate 9.48
    tetrachloromethane 16.84
    n-pentyl acetate 6.89
    transcutol 92.68
    n-heptanol 2.58
    ethylbenzene 12.32
    MIBK 10.03
    2-propoxyethanol 19.22
    tert-butanol 21.54
    MTBE 18.42
    2-butoxyethanol 10.37
    propionic acid 37.32
    o-xylene 23.44
    formic acid 96.07
    diethyl ether 20.65
    m-xylene 11.42
    p-xylene 21.05
    chlorobenzene 31.82
    dimethyl carbonate 25.4
    n-octane 0.95
    formamide 161.27
    cyclopentanone 97.67
    2-pentanone 20.23
    anisole 35.86
    cyclopentyl methyl ether 33.86
    gamma-butyrolactone 152.34
    1-methoxy-2-propanol 33.01
    pyridine 105.67
    3-pentanone 28.22
    furfural 186.25
    n-dodecane 0.89
    diethylene glycol 23.73
    diisopropyl ether 4.6
    tert-amyl alcohol 16.75
    acetylacetone 50.94
    n-hexadecane 1.01
    acetophenone 44.85
    methyl propionate 36.49
    isopentyl acetate 9.87
    trichloroethylene 170.41
    n-nonanol 5.11
    cyclohexanol 15.77
    benzyl alcohol 25.7
    2-ethylhexanol 3.71
    isooctanol 2.47
    dipropyl ether 10.26
    1,2-dichlorobenzene 37.47
    ethyl lactate 14.98
    propylene carbonate 59.46
    n-methylformamide 95.01
    2-pentanol 4.65
    n-pentane 2.14
    1-propoxy-2-propanol 12.73
    1-methoxy-2-propyl acetate 18.97
    2-(2-methoxypropoxy) propanol 30.55
    mesitylene 7.43
    ε-caprolactone 61.99
    p-cymene 6.06
    epichlorohydrin 121.32
    1,1,1-trichloroethane 58.3
    2-aminoethanol 18.1
    morpholine-4-carbaldehyde 192.91
    sulfolane 209.18
    2,2,4-trimethylpentane 1.48
    2-methyltetrahydrofuran 58.2
    n-hexyl acetate 11.85
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 26.08
    sec-butyl acetate 11.82
    tert-butyl acetate 17.35
    decalin 3.51
    glycerin 24.27
    diglyme 73.93
    acrylic acid 50.56
    isopropyl myristate 6.34
    n-butyric acid 27.83
    acetyl acetate 41.45
    di(2-ethylhexyl) phthalate 8.89
    ethyl propionate 25.45
    nitromethane 253.61
    1,2-diethoxyethane 23.92
    benzonitrile 34.1
    trioctyl phosphate 4.38
    1-bromopropane 30.83
    gamma-valerolactone 149.72
    n-decanol 3.73
    triethyl phosphate 18.02
    4-methyl-2-pentanol 2.8
    propionitrile 30.34
    vinylene carbonate 65.76
    1,1,2-trichlorotrifluoroethane 112.33
    DMS 24.61
    cumene 8.56
    2-octanol 2.11
    2-hexanone 16.08
    octyl acetate 7.56
    limonene 8.0
    1,2-dimethoxyethane 116.03
    ethyl orthosilicate 15.58
    tributyl phosphate 8.3
    diacetone alcohol 19.82
    N,N-dimethylaniline 32.96
    acrylonitrile 55.14
    aniline 33.76
    1,3-propanediol 18.42
    bromobenzene 32.38
    dibromomethane 96.18
    1,1,2,2-tetrachloroethane 125.28
    2-methyl-cyclohexyl acetate 16.25
    tetrabutyl urea 14.94
    diisobutyl methanol 3.23
    2-phenylethanol 10.57
    styrene 18.45
    dioctyl adipate 15.42
    dimethyl sulfate 82.34
    ethyl butyrate 16.83
    methyl lactate 23.66
    butyl lactate 8.37
    diethyl carbonate 16.83
    propanediol butyl ether 11.49
    triethyl orthoformate 17.45
    p-tert-butyltoluene 5.41
    methyl 4-tert-butylbenzoate 22.27
    morpholine 87.34
    tert-butylamine 13.12
    n-dodecanol 3.02
    dimethoxymethane 66.2
    ethylene carbonate 45.52
    cyrene 40.62
    2-ethoxyethyl acetate 15.22
    2-ethylhexyl acetate 8.73
    1,2,4-trichlorobenzene 49.93
    4-methylpyridine 81.37
    dibutyl ether 10.76
    2,6-dimethyl-4-heptanol 3.23
    DEF 61.71
    dimethyl isosorbide 61.59
    tetrachloroethylene 83.03
    eugenol 21.7
    triacetin 32.9
    span 80 16.01
    1,4-butanediol 8.1
    1,1-dichloroethane 59.95
    2-methyl-1-pentanol 6.86
    methyl formate 72.51
    2-methyl-1-butanol 7.42
    n-decane 1.56
    butyronitrile 20.64
    3,7-dimethyl-1-octanol 4.96
    1-chlorooctane 4.64
    1-chlorotetradecane 2.33
    n-nonane 1.46
    undecane 1.12
    tert-butylcyclohexane 2.19
    cyclooctane 2.3
    cyclopentanol 21.74
    tetrahydropyran 44.0
    tert-amyl methyl ether 16.75
    2,5,8-trioxanonane 66.11
    1-hexene 6.89
    2-isopropoxyethanol 20.06
    2,2,2-trifluoroethanol 59.86
    methyl butyrate 33.06

    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