1,2-Ethanediol, 1-phenyl-, 1,2-diacetate

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  • Identifiers

    CAS number
    6270-03-7

    Molecular formula
    C12H14O4

    SMILES
    CC(=O)OCC(C1=CC=CC=C1)OC(=O)C

  • Odor profile

    Fragrance
    Floral 70.98%
    Balsamic 48.78%
    Fruity 42.57%
    Honey 41.97%
    Sweet 36.87%
    Jasmin 31.55%
    Powdery 30.06%
    Odorless 29.68%
    Spicy 27.1%
    Rose 25.78%

     

    Flavor
    Fruity 80.91%
    Sweet 79.95%
    Floral 64.4%
    Bitter 50.76%
    Tropical 40.22%
    Balsam 31.74%
    Creamy 31.43%
    Grape 31.17%
    Rose 30.49%
    Mild 30.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.52 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 150.64 ˚C est.

  • Synonyms

    • 6270-03-7
    • 1-Phenyl-1,2-ethanediol diacetate
    • Phenylglycol diacetate
    • 1,2-Ethanediol, 1-phenyl-, diacetate
    • (2-acetyloxy-1-phenylethyl) acetate
    • Phenylethylene di(acetate)
    • 1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
    • DTXSID20863735
    • EINECS 228-445-8
    • NSC 13529
    • NSC 33723
    • AI3-12129
    • 1, 1-phenyl-, diacetate
    • (2-acetyloxy-2-phenylethyl) acetate
    • PHENYLGLYCOL-DIACETAT
    • SCHEMBL4285363
    • WCYRXMRSUIXKRC-UHFFFAOYSA-
    • DTXCID70812314
    • 1-Phenylethane-1,2-diyl diacetate
    • NSC13529
    • NSC33723
    • NSC-13529
    • NSC-33723
    • Phenethyl alcohol,beta-hydroxy:diacetate
    • 228-445-8
    • InChI=1/C12H14O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3

  • Applications

    1,2-Ethanediol, 1-phenyl-, 1,2-diacetate is primarily used as an intermediate in organic synthesis and as a processing aid in coatings, inks, and adhesives. Its two acetate ester groups enable it to function as a plasticizer precursor for certain polymers and resins, or as a reactive diluent and solvent in manufacturing formulations. In fragrance chemistry, the compound may be considered as a precursor for aroma compounds or used as a fragrance fixative in specialty applications. Additionally, it is employed as a chemical intermediate for specialized synthetic routes, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.75
    methanol 124.04
    isopropanol 44.81
    water 3.29
    ethyl acetate 52.46
    n-propanol 39.08
    acetone 132.32
    n-butanol 30.29
    acetonitrile 81.13
    DMF 534.58
    toluene 16.49
    isobutanol 26.1
    1,4-dioxane 154.23
    methyl acetate 83.05
    THF 160.45
    2-butanone 74.83
    n-pentanol 25.8
    sec-butanol 32.05
    n-hexane 1.71
    ethylene glycol 37.06
    NMP 358.08
    cyclohexane 1.89
    DMSO 566.13
    n-butyl acetate 32.93
    n-octanol 9.42
    chloroform 193.14
    n-propyl acetate 32.37
    acetic acid 153.05
    dichloromethane 206.95
    cyclohexanone 91.29
    propylene glycol 30.12
    isopropyl acetate 29.12
    DMAc 717.18
    2-ethoxyethanol 107.83
    isopentanol 29.76
    n-heptane 0.77
    ethyl formate 58.41
    1,2-dichloroethane 126.07
    n-hexanol 17.05
    2-methoxyethanol 176.1
    isobutyl acetate 20.82
    tetrachloromethane 12.59
    n-pentyl acetate 13.11
    transcutol 263.32
    n-heptanol 7.61
    ethylbenzene 18.73
    MIBK 27.65
    2-propoxyethanol 66.09
    tert-butanol 68.59
    MTBE 37.4
    2-butoxyethanol 29.91
    propionic acid 65.17
    o-xylene 19.65
    formic acid 132.49
    diethyl ether 35.22
    m-xylene 12.26
    p-xylene 25.38
    chlorobenzene 45.85
    dimethyl carbonate 55.04
    n-octane 0.43
    formamide 208.38
    cyclopentanone 127.15
    2-pentanone 38.68
    anisole 72.53
    cyclopentyl methyl ether 39.49
    gamma-butyrolactone 180.89
    1-methoxy-2-propanol 91.06
    pyridine 106.81
    3-pentanone 40.9
    furfural 217.98
    n-dodecane 0.58
    diethylene glycol 85.6
    diisopropyl ether 7.4
    tert-amyl alcohol 48.55
    acetylacetone 84.01
    n-hexadecane 0.67
    acetophenone 75.52
    methyl propionate 60.0
    isopentyl acetate 33.72
    trichloroethylene 240.35
    n-nonanol 9.54
    cyclohexanol 27.39
    benzyl alcohol 55.04
    2-ethylhexanol 13.11
    isooctanol 7.27
    dipropyl ether 15.71
    1,2-dichlorobenzene 57.85
    ethyl lactate 31.71
    propylene carbonate 92.0
    n-methylformamide 158.96
    2-pentanol 14.98
    n-pentane 0.8
    1-propoxy-2-propanol 38.42
    1-methoxy-2-propyl acetate 51.84
    2-(2-methoxypropoxy) propanol 65.32
    mesitylene 8.01
    ε-caprolactone 86.74
    p-cymene 10.17
    epichlorohydrin 192.69
    1,1,1-trichloroethane 63.52
    2-aminoethanol 54.41
    morpholine-4-carbaldehyde 293.63
    sulfolane 256.73
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 82.77
    n-hexyl acetate 24.28
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 66.76
    sec-butyl acetate 23.61
    tert-butyl acetate 36.46
    decalin 2.79
    glycerin 76.66
    diglyme 157.16
    acrylic acid 74.48
    isopropyl myristate 11.88
    n-butyric acid 56.54
    acetyl acetate 51.3
    di(2-ethylhexyl) phthalate 20.64
    ethyl propionate 35.96
    nitromethane 287.19
    1,2-diethoxyethane 48.26
    benzonitrile 57.72
    trioctyl phosphate 10.44
    1-bromopropane 38.67
    gamma-valerolactone 204.37
    n-decanol 7.18
    triethyl phosphate 31.32
    4-methyl-2-pentanol 11.12
    propionitrile 45.31
    vinylene carbonate 93.94
    1,1,2-trichlorotrifluoroethane 174.25
    DMS 50.32
    cumene 13.63
    2-octanol 5.08
    2-hexanone 35.29
    octyl acetate 14.08
    limonene 12.82
    1,2-dimethoxyethane 197.46
    ethyl orthosilicate 27.76
    tributyl phosphate 18.5
    diacetone alcohol 56.1
    N,N-dimethylaniline 57.64
    acrylonitrile 72.14
    aniline 43.18
    1,3-propanediol 68.81
    bromobenzene 41.48
    dibromomethane 102.66
    1,1,2,2-tetrachloroethane 194.81
    2-methyl-cyclohexyl acetate 34.9
    tetrabutyl urea 27.9
    diisobutyl methanol 9.16
    2-phenylethanol 34.22
    styrene 24.54
    dioctyl adipate 27.25
    dimethyl sulfate 147.26
    ethyl butyrate 31.54
    methyl lactate 52.07
    butyl lactate 20.42
    diethyl carbonate 34.46
    propanediol butyl ether 35.44
    triethyl orthoformate 29.83
    p-tert-butyltoluene 9.34
    methyl 4-tert-butylbenzoate 45.89
    morpholine 161.19
    tert-butylamine 30.28
    n-dodecanol 5.52
    dimethoxymethane 139.87
    ethylene carbonate 70.81
    cyrene 77.82
    2-ethoxyethyl acetate 32.29
    2-ethylhexyl acetate 26.82
    1,2,4-trichlorobenzene 76.29
    4-methylpyridine 103.96
    dibutyl ether 14.25
    2,6-dimethyl-4-heptanol 9.16
    DEF 98.1
    dimethyl isosorbide 110.21
    tetrachloroethylene 104.92
    eugenol 47.46
    triacetin 48.47
    span 80 35.93
    1,4-butanediol 31.09
    1,1-dichloroethane 76.24
    2-methyl-1-pentanol 28.6
    methyl formate 116.31
    2-methyl-1-butanol 28.02
    n-decane 0.92
    butyronitrile 37.93
    3,7-dimethyl-1-octanol 12.74
    1-chlorooctane 5.57
    1-chlorotetradecane 2.59
    n-nonane 0.75
    undecane 0.7
    tert-butylcyclohexane 2.38
    cyclooctane 0.58
    cyclopentanol 33.42
    tetrahydropyran 62.78
    tert-amyl methyl ether 33.0
    2,5,8-trioxanonane 122.17
    1-hexene 10.0
    2-isopropoxyethanol 56.05
    2,2,2-trifluoroethanol 74.72
    methyl butyrate 51.28

    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