1,1'-Oxybis-2-propanol dibenzoate

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  • Identifiers

    CAS number
    27138-31-4

    Molecular formula
    C20H22O5

    SMILES
    CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Balsamic 39.64%
    Fruity 35.77%
    Odorless 33.9%
    Floral 30.16%
    Honey 27.38%
    Sweet 27.07%
    Fatty 23.05%
    Buttery 22.68%
    Herbal 21.01%
    Milky 20.07%

     

    Flavor
    Fruity 67.95%
    Bitter 43.84%
    Sweet 39.36%
    Grape 35.53%
    Floral 32.19%
    Mild 27.77%
    Wine 26.21%
    Musty 25.95%
    Powdery 24.32%
    Strawberry 24.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    5.42 (weak acid)

    Molecular weight
    342.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    409°C

    Flash point

    • 183.97 ˚C est.

  • Synonyms

    • Oxydipropyl dibenzoate
    • 27138-31-4
    • 94-03-1
    • 1,1'-Oxybis-2-propanol dibenzoate
    • UNII-9QQI0RSO3H
    • 9QQI0RSO3H
    • 1,1'-Dimethyl-2,2'-oxydiethyl dibenzoate
    • EINECS 202-296-9
    • 2-Propanol, 1,1'-oxybis-, dibenzoate
    • 1,1'-OXYBIS(2-PROPANOL) DIBENZOATE
    • 1-(2-benzoyloxypropoxy)propan-2-yl benzoate
    • Oxybis(propane-1,2-diyl) dibenzoate
    • 2-PROPANOL, 1,1'-OXYDI-, DIBENZOATE
    • DTXCID507921
    • DTXSID6027921
    • DI(1,2-PROPYLENE GLYCOL) DIBENZOATE, TAIL TO TAIL-
    • CAS-27138-31-4
    • SCHEMBL1255193
    • CHEMBL1877406
    • IZYUWBATGXUSIK-UHFFFAOYSA-N
    • DTXSID401043495
    • Tox21_202280
    • Tox21_300147
    • MFCD00046063
    • NCGC00164208-01
    • NCGC00247908-01
    • NCGC00254168-01
    • NCGC00259829-01
    • 2-Propanol, 1,1a(2)-oxybis-, dibenzoate
    • 2-Propanol,1,1'-oxybis-,dibenzoate(9ci)
    • NS00050141
    • NS00078904
    • Q27272899
    • 248-258-5

  • Applications

    1,1'-Oxybis-2-propanol dibenzoate (CAS 27138-31-4) is primarily used as a plasticizer for polymers and coatings, improving flexibility, workability, and low-temperature performance in PVC and related resins. It also functions as a solvent or co-solvent in paint, coatings, inks, and adhesive formulations, aiding resin dissolution and film formation. As a diol ester, it is used as an intermediate in the production of ester plasticizers and other specialty chemicals. Additionally, it is considered as an additive to adjust viscosity and compatibility in industrial coatings and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.35
    methanol 84.6
    isopropanol 38.35
    water 0.64
    ethyl acetate 195.46
    n-propanol 55.43
    acetone 378.2
    n-butanol 43.87
    acetonitrile 225.98
    DMF 286.27
    toluene 133.75
    isobutanol 40.38
    1,4-dioxane 279.1
    methyl acetate 207.44
    THF 607.82
    2-butanone 242.31
    n-pentanol 46.28
    sec-butanol 55.12
    n-hexane 9.36
    ethylene glycol 9.16
    NMP 390.08
    cyclohexane 32.0
    DMSO 418.36
    n-butyl acetate 94.38
    n-octanol 30.34
    chloroform 1150.83
    n-propyl acetate 116.53
    acetic acid 172.5
    dichloromethane 1463.58
    cyclohexanone 412.88
    propylene glycol 13.48
    isopropyl acetate 96.04
    DMAc 439.31
    2-ethoxyethanol 103.4
    isopentanol 39.88
    n-heptane 7.86
    ethyl formate 126.49
    1,2-dichloroethane 773.0
    n-hexanol 32.6
    2-methoxyethanol 117.8
    isobutyl acetate 63.43
    tetrachloromethane 72.55
    n-pentyl acetate 80.12
    transcutol 216.86
    n-heptanol 30.16
    ethylbenzene 63.2
    MIBK 81.9
    2-propoxyethanol 83.11
    tert-butanol 51.01
    MTBE 74.23
    2-butoxyethanol 69.42
    propionic acid 114.82
    o-xylene 74.3
    formic acid 57.76
    diethyl ether 130.3
    m-xylene 59.93
    p-xylene 85.59
    chlorobenzene 234.84
    dimethyl carbonate 106.49
    n-octane 5.72
    formamide 154.9
    cyclopentanone 523.77
    2-pentanone 176.67
    anisole 113.25
    cyclopentyl methyl ether 180.28
    gamma-butyrolactone 574.64
    1-methoxy-2-propanol 84.12
    pyridine 370.29
    3-pentanone 175.74
    furfural 378.23
    n-dodecane 4.67
    diethylene glycol 57.27
    diisopropyl ether 25.82
    tert-amyl alcohol 59.61
    acetylacetone 231.46
    n-hexadecane 5.33
    acetophenone 145.75
    methyl propionate 175.89
    isopentyl acetate 75.52
    trichloroethylene 1249.11
    n-nonanol 30.87
    cyclohexanol 101.74
    benzyl alcohol 93.27
    2-ethylhexanol 29.15
    isooctanol 26.37
    dipropyl ether 56.08
    1,2-dichlorobenzene 206.01
    ethyl lactate 56.01
    propylene carbonate 240.27
    n-methylformamide 155.96
    2-pentanol 35.52
    n-pentane 7.69
    1-propoxy-2-propanol 61.34
    1-methoxy-2-propyl acetate 91.76
    2-(2-methoxypropoxy) propanol 67.54
    mesitylene 32.09
    ε-caprolactone 278.4
    p-cymene 29.95
    epichlorohydrin 669.55
    1,1,1-trichloroethane 381.89
    2-aminoethanol 23.06
    morpholine-4-carbaldehyde 266.51
    sulfolane 557.03
    2,2,4-trimethylpentane 5.63
    2-methyltetrahydrofuran 276.9
    n-hexyl acetate 86.78
    isooctane 2.59
    2-(2-butoxyethoxy)ethanol 77.75
    sec-butyl acetate 68.18
    tert-butyl acetate 91.32
    decalin 12.36
    glycerin 23.36
    diglyme 194.44
    acrylic acid 117.19
    isopropyl myristate 34.44
    n-butyric acid 128.34
    acetyl acetate 131.86
    di(2-ethylhexyl) phthalate 39.86
    ethyl propionate 110.07
    nitromethane 401.61
    1,2-diethoxyethane 100.52
    benzonitrile 137.95
    trioctyl phosphate 26.95
    1-bromopropane 266.99
    gamma-valerolactone 472.05
    n-decanol 22.73
    triethyl phosphate 53.14
    4-methyl-2-pentanol 21.24
    propionitrile 140.51
    vinylene carbonate 232.64
    1,1,2-trichlorotrifluoroethane 265.36
    DMS 114.61
    cumene 36.18
    2-octanol 23.7
    2-hexanone 112.58
    octyl acetate 45.07
    limonene 41.2
    1,2-dimethoxyethane 215.48
    ethyl orthosilicate 47.36
    tributyl phosphate 35.45
    diacetone alcohol 88.01
    N,N-dimethylaniline 71.37
    acrylonitrile 198.42
    aniline 117.12
    1,3-propanediol 35.69
    bromobenzene 264.6
    dibromomethane 843.54
    1,1,2,2-tetrachloroethane 805.53
    2-methyl-cyclohexyl acetate 72.94
    tetrabutyl urea 50.56
    diisobutyl methanol 20.58
    2-phenylethanol 63.6
    styrene 89.25
    dioctyl adipate 62.94
    dimethyl sulfate 170.44
    ethyl butyrate 87.83
    methyl lactate 70.1
    butyl lactate 58.46
    diethyl carbonate 65.75
    propanediol butyl ether 49.63
    triethyl orthoformate 64.61
    p-tert-butyltoluene 25.72
    methyl 4-tert-butylbenzoate 94.57
    morpholine 270.22
    tert-butylamine 30.94
    n-dodecanol 17.86
    dimethoxymethane 203.47
    ethylene carbonate 199.11
    cyrene 110.66
    2-ethoxyethyl acetate 111.3
    2-ethylhexyl acetate 63.45
    1,2,4-trichlorobenzene 233.7
    4-methylpyridine 281.83
    dibutyl ether 52.58
    2,6-dimethyl-4-heptanol 20.58
    DEF 186.42
    dimethyl isosorbide 151.18
    tetrachloroethylene 504.77
    eugenol 79.2
    triacetin 117.07
    span 80 58.01
    1,4-butanediol 24.38
    1,1-dichloroethane 511.33
    2-methyl-1-pentanol 45.83
    methyl formate 155.13
    2-methyl-1-butanol 44.79
    n-decane 8.43
    butyronitrile 118.37
    3,7-dimethyl-1-octanol 27.58
    1-chlorooctane 34.82
    1-chlorotetradecane 13.35
    n-nonane 7.73
    undecane 6.05
    tert-butylcyclohexane 8.3
    cyclooctane 7.83
    cyclopentanol 119.76
    tetrahydropyran 288.51
    tert-amyl methyl ether 69.69
    2,5,8-trioxanonane 129.33
    1-hexene 39.56
    2-isopropoxyethanol 71.93
    2,2,2-trifluoroethanol 95.36
    methyl butyrate 142.12

    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