1,2-Ethanediol, 1-phenyl-, 2-acetate

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  • Identifiers

    CAS number
    10522-41-5

    Molecular formula
    C10H12O3

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

  • Odor profile

    Floral 63.44%
    Sweet 53.79%
    Fruity 49.26%
    Balsamic 46.14%
    Honey 41.51%
    Vanilla 34.69%
    Powdery 32.43%
    Rose 28.16%
    Creamy 27.74%
    Spicy 26.18%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point est.
    143.0 ˚C

  • Synonyms

    • 10522-41-5
    • beta-Hydroxyphenethyl acetate
    • 1,2-Ethanediol, 1-phenyl-, 2-acetate
    • (2-hydroxy-2-phenylethyl) acetate
    • Phenylethane-1,2-diol-2-acetate
    • EINECS 234-072-1
    • AI3-03877
    • DTXSID80864288
    • SCHEMBL5566856
    • 2-Acetoxy-1-phenyl-athan-1-ol
    • DTXCID80812825
    • QGJIFOZQMCBQIP-UHFFFAOYSA-N
    • NS00012644

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.15
    methanol 290.75
    isopropanol 101.02
    water 5.49
    ethyl acetate 70.64
    n-propanol 92.06
    acetone 67.8
    n-butanol 66.6
    acetonitrile 73.78
    DMF 414.25
    toluene 13.83
    isobutanol 50.37
    1,4-dioxane 280.76
    methyl acetate 94.45
    THF 159.91
    2-butanone 64.46
    n-pentanol 54.03
    sec-butanol 61.8
    n-hexane 0.72
    ethylene glycol 121.72
    NMP 135.81
    cyclohexane 1.51
    DMSO 480.93
    n-butyl acetate 30.75
    n-octanol 17.93
    chloroform 68.65
    n-propyl acetate 36.06
    acetic acid 166.18
    dichloromethane 65.44
    cyclohexanone 73.49
    propylene glycol 107.82
    isopropyl acetate 32.84
    DMAc 441.84
    2-ethoxyethanol 211.07
    isopentanol 53.56
    n-heptane 1.09
    ethyl formate 52.24
    1,2-dichloroethane 58.84
    n-hexanol 38.92
    2-methoxyethanol 323.3
    isobutyl acetate 23.89
    tetrachloromethane 6.18
    n-pentyl acetate 14.25
    transcutol 432.6
    n-heptanol 17.04
    ethylbenzene 12.69
    MIBK 34.59
    2-propoxyethanol 106.96
    tert-butanol 163.25
    MTBE 52.49
    2-butoxyethanol 51.94
    propionic acid 87.84
    o-xylene 17.26
    formic acid 182.92
    diethyl ether 46.39
    m-xylene 12.85
    p-xylene 16.15
    chlorobenzene 22.29
    dimethyl carbonate 44.32
    n-octane 0.73
    formamide 281.58
    cyclopentanone 82.88
    2-pentanone 39.14
    anisole 62.6
    cyclopentyl methyl ether 43.36
    gamma-butyrolactone 123.94
    1-methoxy-2-propanol 169.91
    pyridine 87.33
    3-pentanone 35.97
    furfural 144.84
    n-dodecane 1.04
    diethylene glycol 163.33
    diisopropyl ether 9.54
    tert-amyl alcohol 90.16
    acetylacetone 72.07
    n-hexadecane 1.16
    acetophenone 53.31
    methyl propionate 65.84
    isopentyl acetate 31.39
    trichloroethylene 104.9
    n-nonanol 17.77
    cyclohexanol 42.37
    benzyl alcohol 55.34
    2-ethylhexanol 21.89
    isooctanol 14.6
    dipropyl ether 19.94
    1,2-dichlorobenzene 26.74
    ethyl lactate 36.4
    propylene carbonate 59.15
    n-methylformamide 164.02
    2-pentanol 35.56
    n-pentane 0.56
    1-propoxy-2-propanol 60.21
    1-methoxy-2-propyl acetate 52.95
    2-(2-methoxypropoxy) propanol 80.34
    mesitylene 8.93
    ε-caprolactone 70.25
    p-cymene 9.74
    epichlorohydrin 148.57
    1,1,1-trichloroethane 28.8
    2-aminoethanol 155.43
    morpholine-4-carbaldehyde 243.49
    sulfolane 160.63
    2,2,4-trimethylpentane 1.42
    2-methyltetrahydrofuran 74.14
    n-hexyl acetate 27.82
    isooctane 0.94
    2-(2-butoxyethoxy)ethanol 101.97
    sec-butyl acetate 24.86
    tert-butyl acetate 43.99
    decalin 2.28
    glycerin 187.13
    diglyme 203.45
    acrylic acid 87.95
    isopropyl myristate 13.9
    n-butyric acid 77.44
    acetyl acetate 46.34
    di(2-ethylhexyl) phthalate 19.91
    ethyl propionate 36.6
    nitromethane 272.32
    1,2-diethoxyethane 67.69
    benzonitrile 41.65
    trioctyl phosphate 12.27
    1-bromopropane 17.34
    gamma-valerolactone 154.38
    n-decanol 13.96
    triethyl phosphate 25.17
    4-methyl-2-pentanol 22.8
    propionitrile 56.5
    vinylene carbonate 63.65
    1,1,2-trichlorotrifluoroethane 150.55
    DMS 42.03
    cumene 10.94
    2-octanol 10.41
    2-hexanone 35.25
    octyl acetate 16.87
    limonene 13.0
    1,2-dimethoxyethane 250.08
    ethyl orthosilicate 23.68
    tributyl phosphate 16.64
    diacetone alcohol 82.93
    N,N-dimethylaniline 44.54
    acrylonitrile 83.9
    aniline 43.92
    1,3-propanediol 174.73
    bromobenzene 17.01
    dibromomethane 31.83
    1,1,2,2-tetrachloroethane 94.04
    2-methyl-cyclohexyl acetate 30.93
    tetrabutyl urea 24.94
    diisobutyl methanol 14.87
    2-phenylethanol 39.25
    styrene 16.01
    dioctyl adipate 26.37
    dimethyl sulfate 93.61
    ethyl butyrate 30.56
    methyl lactate 59.66
    butyl lactate 24.35
    diethyl carbonate 28.68
    propanediol butyl ether 59.73
    triethyl orthoformate 28.66
    p-tert-butyltoluene 9.59
    methyl 4-tert-butylbenzoate 45.59
    morpholine 276.5
    tert-butylamine 58.54
    n-dodecanol 11.24
    dimethoxymethane 159.95
    ethylene carbonate 51.37
    cyrene 73.26
    2-ethoxyethyl acetate 37.33
    2-ethylhexyl acetate 23.96
    1,2,4-trichlorobenzene 35.95
    4-methylpyridine 63.44
    dibutyl ether 19.6
    2,6-dimethyl-4-heptanol 14.87
    DEF 88.75
    dimethyl isosorbide 109.36
    tetrachloroethylene 59.46
    eugenol 51.92
    triacetin 48.77
    span 80 49.5
    1,4-butanediol 74.69
    1,1-dichloroethane 32.41
    2-methyl-1-pentanol 45.79
    methyl formate 111.08
    2-methyl-1-butanol 46.79
    n-decane 1.53
    butyronitrile 43.58
    3,7-dimethyl-1-octanol 21.27
    1-chlorooctane 7.58
    1-chlorotetradecane 3.87
    n-nonane 1.22
    undecane 1.22
    tert-butylcyclohexane 2.28
    cyclooctane 0.7
    cyclopentanol 42.81
    tetrahydropyran 92.34
    tert-amyl methyl ether 41.89
    2,5,8-trioxanonane 155.38
    1-hexene 5.89
    2-isopropoxyethanol 103.83
    2,2,2-trifluoroethanol 69.14
    methyl butyrate 49.06

    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