4,4'-Dimethoxybenzoin

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  • Identifiers

    CAS number
    119-52-8

    Molecular formula
    C16H16O4

    SMILES
    COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 77.53%
    Vanilla 67.92%
    Floral 57.35%
    Powdery 50.95%
    Balsamic 49.27%
    Creamy 45.76%
    Spicy 40.75%
    Anisic 36.01%
    Aromatic 34.5%
    Phenolic 33.7%

     

    Flavor
    Bitter 58.01%
    Sweet 38.25%
    Balsam 29.79%
    Powdery 28.67%
    Odorless 26.66%
    Faint 24.79%
    Fruity 23.19%
    Balsamic 22.25%
    Wintergreen 21.67%
    Tarragon 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.62 (neutral)

    Molecular weight
    272.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Flash point

    • 182.76 ˚C est.

  • Synonyms

    • Anisoin
    • 119-52-8
    • 4,4'-Dimethoxybenzoin
    • Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-
    • NSC-7960
    • NSC-8504
    • KUY567Z2QL
    • DTXSID60883311
    • RefChem:506665
    • DTXCID50893247
    • 204-330-8
    • 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone
    • p-Anisoin
    • MFCD00008411
    • p,p'-Dimethoxybenzoin
    • Benzoin, 4,4'-dimethoxy-
    • 2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one
    • Benzoin,4'-dimethoxy-
    • 4,4'-Anisoin
    • 1,2-bis(4-methoxyphenyl)-2-hydroxyethan-1-one
    • NSC8504
    • NSC 7960
    • EINECS 204-330-8
    • (+/-)-p-Anisoin
    • 4,4'-bismethoxybenzoin
    • AI3-23357
    • 4,4\'-Dimethoxybenzoin
    • 1,2-Bis(4-methoxyphenyl)-2-hydroxyethanone
    • TimTec1_001608
    • Oprea1_009659
    • SCHEMBL68736
    • 4,4?-DIMETHOXYBENZOIN
    • CHEMBL370299
    • 4,4'-Dimethoxybenzoin, 95%
    • BDBM22760
    • LRRQSCPPOIUNGX-UHFFFAOYSA-
    • NSC7960
    • HMS1538J02
    • AC8989
    • SBB006267
    • STK803148
    • AKOS003239372
    • AKOS016038120
    • EBC-611639
    • FA70852
    • NCGC00174251-01
    • DS-16803
    • Hydroxy-1,2-bis(4-methoxyphenyl)ethanone
    • ST023482
    • SY019730
    • 1,2-di-(4-methoxyphenyl)-2-oxo-ethanol
    • DB-041475
    • A1010
    • CS-0150419
    • NS00041255
    • 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone #
    • 4,4 inverted exclamation mark -Dimethoxybenzoin
    • 4,4 inverted exclamation marka-Dimethoxybenzoin
    • 1-Oxo-1,2-bis(p-methoxyphenyl)-2-hydroxyethane
    • EN300-6733798
    • F224559
    • 2-Hydroxy-4'-methoxy-2-(4-methoxyphenyl)acetophenone
    • Z57474221
    • F1638-0096
    • (alpha-Hydroxy-4-methoxybenzyl)-(4-methoxyphenyl)-ketone
    • InChI=1/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
    • 119-52-8

  • Applications

    4,4'-Dimethoxybenzoin (CAS 119-52-8) is primarily used as an organic synthesis intermediate, serving as a building block for benzoin-type compounds and related α-hydroxy ketones, and as a precursor to benzil derivatives and other functional molecules. In polymer and coating applications, benzoin-type α-hydroxy ketones are known photoinitiators or co-initiators for UV-curable systems, so 4,4'-dimethoxybenzoin may be evaluated for use in UV-curable coatings, inks, and adhesives. In pharmaceutical chemistry, it can serve as a scaffold or starting material for the synthesis of diverse medicinal compounds. In asymmetric synthesis and catalysis research, it can be employed as a reagent or precursor for developing chiral transformations. As a specialty chemical, it provides a platform for downstream transformations to various intermediates, subject to regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.61
    methanol 4.29
    isopropanol 3.42
    water 0.02
    ethyl acetate 17.58
    n-propanol 4.94
    acetone 9.27
    n-butanol 4.04
    acetonitrile 10.88
    DMF 19.24
    toluene 5.99
    isobutanol 2.57
    1,4-dioxane 49.0
    methyl acetate 19.13
    THF 75.42
    2-butanone 15.0
    n-pentanol 3.94
    sec-butanol 5.27
    n-hexane 0.53
    ethylene glycol 4.22
    NMP 13.54
    cyclohexane 1.47
    DMSO 98.1
    n-butyl acetate 6.69
    n-octanol 2.14
    chloroform 51.92
    n-propyl acetate 8.5
    acetic acid 21.38
    dichloromethane 52.79
    cyclohexanone 16.25
    propylene glycol 5.51
    isopropyl acetate 10.71
    DMAc 52.83
    2-ethoxyethanol 27.04
    isopentanol 4.03
    n-heptane 0.82
    ethyl formate 6.17
    1,2-dichloroethane 36.28
    n-hexanol 4.04
    2-methoxyethanol 31.49
    isobutyl acetate 5.1
    tetrachloromethane 3.83
    n-pentyl acetate 5.26
    transcutol 102.69
    n-heptanol 3.09
    ethylbenzene 4.23
    MIBK 7.84
    2-propoxyethanol 20.03
    tert-butanol 10.5
    MTBE 11.21
    2-butoxyethanol 11.61
    propionic acid 10.92
    o-xylene 5.61
    formic acid 12.25
    diethyl ether 16.59
    m-xylene 3.27
    p-xylene 5.06
    chlorobenzene 7.53
    dimethyl carbonate 14.97
    n-octane 0.42
    formamide 30.25
    cyclopentanone 20.47
    2-pentanone 8.56
    anisole 16.98
    cyclopentyl methyl ether 14.07
    gamma-butyrolactone 28.13
    1-methoxy-2-propanol 22.53
    pyridine 24.25
    3-pentanone 13.43
    furfural 32.56
    n-dodecane 0.34
    diethylene glycol 23.45
    diisopropyl ether 4.23
    tert-amyl alcohol 10.75
    acetylacetone 21.54
    n-hexadecane 0.4
    acetophenone 15.86
    methyl propionate 16.66
    isopentyl acetate 8.64
    trichloroethylene 62.22
    n-nonanol 2.87
    cyclohexanol 6.03
    benzyl alcohol 10.57
    2-ethylhexanol 3.77
    isooctanol 3.12
    dipropyl ether 10.19
    1,2-dichlorobenzene 10.59
    ethyl lactate 8.71
    propylene carbonate 11.68
    n-methylformamide 10.54
    2-pentanol 3.66
    n-pentane 0.37
    1-propoxy-2-propanol 14.41
    1-methoxy-2-propyl acetate 20.74
    2-(2-methoxypropoxy) propanol 23.59
    mesitylene 2.6
    ε-caprolactone 15.4
    p-cymene 3.44
    epichlorohydrin 54.28
    1,1,1-trichloroethane 17.49
    2-aminoethanol 7.07
    morpholine-4-carbaldehyde 39.51
    sulfolane 44.79
    2,2,4-trimethylpentane 0.62
    2-methyltetrahydrofuran 20.23
    n-hexyl acetate 6.33
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 25.42
    sec-butyl acetate 7.02
    tert-butyl acetate 16.74
    decalin 1.11
    glycerin 17.21
    diglyme 66.8
    acrylic acid 14.04
    isopropyl myristate 4.71
    n-butyric acid 9.7
    acetyl acetate 16.46
    di(2-ethylhexyl) phthalate 5.37
    ethyl propionate 11.69
    nitromethane 51.79
    1,2-diethoxyethane 28.31
    benzonitrile 8.89
    trioctyl phosphate 3.2
    1-bromopropane 9.83
    gamma-valerolactone 32.34
    n-decanol 2.33
    triethyl phosphate 11.27
    4-methyl-2-pentanol 3.13
    propionitrile 9.25
    vinylene carbonate 13.63
    1,1,2-trichlorotrifluoroethane 46.94
    DMS 15.69
    cumene 3.28
    2-octanol 1.97
    2-hexanone 8.31
    octyl acetate 4.95
    limonene 4.73
    1,2-dimethoxyethane 53.28
    ethyl orthosilicate 10.95
    tributyl phosphate 4.89
    diacetone alcohol 19.2
    N,N-dimethylaniline 12.25
    acrylonitrile 15.39
    aniline 9.28
    1,3-propanediol 11.1
    bromobenzene 8.22
    dibromomethane 26.61
    1,1,2,2-tetrachloroethane 50.65
    2-methyl-cyclohexyl acetate 11.49
    tetrabutyl urea 7.31
    diisobutyl methanol 4.01
    2-phenylethanol 9.32
    styrene 5.08
    dioctyl adipate 9.99
    dimethyl sulfate 31.99
    ethyl butyrate 10.3
    methyl lactate 14.39
    butyl lactate 6.74
    diethyl carbonate 10.31
    propanediol butyl ether 8.42
    triethyl orthoformate 12.99
    p-tert-butyltoluene 3.63
    methyl 4-tert-butylbenzoate 16.38
    morpholine 42.68
    tert-butylamine 5.13
    n-dodecanol 1.97
    dimethoxymethane 32.51
    ethylene carbonate 10.48
    cyrene 22.56
    2-ethoxyethyl acetate 15.75
    2-ethylhexyl acetate 6.39
    1,2,4-trichlorobenzene 14.53
    4-methylpyridine 11.07
    dibutyl ether 6.24
    2,6-dimethyl-4-heptanol 4.01
    DEF 15.44
    dimethyl isosorbide 42.93
    tetrachloroethylene 31.76
    eugenol 15.98
    triacetin 18.38
    span 80 12.31
    1,4-butanediol 4.2
    1,1-dichloroethane 14.52
    2-methyl-1-pentanol 4.96
    methyl formate 9.52
    2-methyl-1-butanol 3.87
    n-decane 0.6
    butyronitrile 5.44
    3,7-dimethyl-1-octanol 3.35
    1-chlorooctane 2.05
    1-chlorotetradecane 1.13
    n-nonane 0.48
    undecane 0.43
    tert-butylcyclohexane 0.89
    cyclooctane 0.65
    cyclopentanol 5.44
    tetrahydropyran 25.29
    tert-amyl methyl ether 11.77
    2,5,8-trioxanonane 52.83
    1-hexene 2.03
    2-isopropoxyethanol 16.52
    2,2,2-trifluoroethanol 13.17
    methyl butyrate 10.63

    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