Deoxyarbutin

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  • Identifiers

    CAS number
    53936-56-4

    Molecular formula
    C11H14O3

    SMILES
    C1CCOC(C1)OC2=CC=C(C=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 77.63%
    Phenolic 55.22%
    Floral 47.89%
    Vanilla 44.91%
    Spicy 41.27%
    Aromatic 39.76%
    Balsamic 33.85%
    Anisic 33.38%
    Powdery 32.77%
    Animal 29.07%

     

    Flavor
    Bitter 69.13%
    Sweet 45.13%
    Coconut 26.52%
    Floral 26.28%
    Woody 26.15%
    Vanilla 24.98%
    Spicy 24.52%
    Creamy 23.67%
    Naphthalic 23.31%
    Powdery 23.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 146.71 ˚C est.

  • Synonyms

    • Deoxyarbutin
    • 53936-56-4
    • Tetrahydropyranyloxy phenol
    • 4-(Tetrahydro-2H-pyran-2-yloxy)phenol
    • Girlite DA 100
    • Phenol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
    • 4-((2-Tetrahydropyranyl)oxy)phenol
    • RG969BY5EN
    • 4-Hydroxyphenyl tetrahydropyranyl ether
    • Phenol, 4-((tetrahydro-2H-pyran-2-yl)oxy)-
    • 4-[(2-Tetrahydropyranyl)oxy]phenol
    • RefChem:131920
    • 4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
    • 4-(oxan-2-yloxy)phenol
    • MFCD09970981
    • (+/-)-Tetrahydropyranyloxy phenol
    • Tetrahydropyranyloxy phenol, (+/-)-
    • UNII-RG969BY5EN
    • D-arbutin
    • Tetrahydropyranyloxy phenol [INCI]
    • 4-[(Oxan-2-yl)oxy]phenol
    • SCHEMBL222919
    • orb1300747
    • orb1979947
    • orb1979948
    • CHEMBL4303145
    • DTXSID10968728
    • HMS3652A20
    • HY-B1461
    • s4132
    • 4-(tetrahydro-pyran-2-yloxy)-phenol
    • AKOS015919608
    • CCG-266537
    • CS-5188
    • EBC-616883
    • FD15587
    • NCGC00386258-01
    • NCGC00386258-02
    • AC-23368
    • AS-18645
    • SY102928
    • SW219682-1
    • AB01566911_01
    • 936D564
    • F091803
    • BRD-A62562325-001-02-5
    • BRD-A62562325-001-03-3
    • Q27288101
    • 4-(Tetrahydro-2H-pyran-2-yloxy)phenol; 4-Hydroxyphenyl tetrahydropyranyl Ether; 4-[(2-Tetrahydropyranyl)oxy]phenol
    • 53936-56-4

  • Applications

    Deoxyarbutin (CAS 53936-56-4) is primarily used in cosmetics and personal care as a depigmenting agent and tyrosinase inhibitor to reduce hyperpigmentation. In formulations, it is often evaluated as an alternative or supplement to arbutin and related glycosides, appearing in serums, creams, and gels. In addition, it is used as an intermediate or precursor in the synthesis of related cosmetic actives and in research settings to study tyrosinase inhibition mechanisms. It may be considered as a chemical intermediate for the development of new cosmetic ingredients, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 691.52
    methanol 976.6
    isopropanol 441.59
    water 0.83
    ethyl acetate 604.18
    n-propanol 404.3
    acetone 156.88
    n-butanol 328.3
    acetonitrile 636.35
    DMF 93.47
    toluene 85.07
    isobutanol 222.05
    1,4-dioxane 809.01
    methyl acetate 436.14
    THF 532.14
    2-butanone 270.45
    n-pentanol 273.95
    sec-butanol 327.26
    n-hexane 7.63
    ethylene glycol 166.67
    NMP 38.98
    cyclohexane 14.74
    DMSO 802.52
    n-butyl acetate 220.98
    n-octanol 76.64
    chloroform 625.61
    n-propyl acetate 245.46
    acetic acid 522.0
    dichloromethane 605.91
    cyclohexanone 169.91
    propylene glycol 244.87
    isopropyl acetate 195.5
    DMAc 214.97
    2-ethoxyethanol 607.29
    isopentanol 250.44
    n-heptane 7.46
    ethyl formate 223.83
    1,2-dichloroethane 360.6
    n-hexanol 178.57
    2-methoxyethanol 701.48
    isobutyl acetate 138.97
    tetrachloromethane 36.0
    n-pentyl acetate 86.51
    transcutol 1453.21
    n-heptanol 68.79
    ethylbenzene 58.88
    MIBK 130.93
    2-propoxyethanol 357.45
    tert-butanol 492.09
    MTBE 279.31
    2-butoxyethanol 165.79
    propionic acid 299.94
    o-xylene 57.15
    formic acid 207.16
    diethyl ether 348.09
    m-xylene 56.87
    p-xylene 67.99
    chlorobenzene 117.33
    dimethyl carbonate 93.95
    n-octane 4.58
    formamide 350.38
    cyclopentanone 126.85
    2-pentanone 193.94
    anisole 179.29
    cyclopentyl methyl ether 154.36
    gamma-butyrolactone 255.35
    1-methoxy-2-propanol 456.15
    pyridine 365.58
    3-pentanone 132.8
    furfural 278.23
    n-dodecane 6.46
    diethylene glycol 365.54
    diisopropyl ether 58.25
    tert-amyl alcohol 327.01
    acetylacetone 260.64
    n-hexadecane 7.12
    acetophenone 151.82
    methyl propionate 255.86
    isopentyl acetate 177.27
    trichloroethylene 588.22
    n-nonanol 69.33
    cyclohexanol 161.77
    benzyl alcohol 174.41
    2-ethylhexanol 94.35
    isooctanol 59.74
    dipropyl ether 99.89
    1,2-dichlorobenzene 105.27
    ethyl lactate 110.16
    propylene carbonate 181.03
    n-methylformamide 155.11
    2-pentanol 195.98
    n-pentane 7.32
    1-propoxy-2-propanol 229.91
    1-methoxy-2-propyl acetate 199.11
    2-(2-methoxypropoxy) propanol 209.47
    mesitylene 36.55
    ε-caprolactone 209.44
    p-cymene 37.13
    epichlorohydrin 473.02
    1,1,1-trichloroethane 207.1
    2-aminoethanol 315.71
    morpholine-4-carbaldehyde 254.18
    sulfolane 209.21
    2,2,4-trimethylpentane 9.15
    2-methyltetrahydrofuran 301.34
    n-hexyl acetate 134.81
    isooctane 6.75
    2-(2-butoxyethoxy)ethanol 308.73
    sec-butyl acetate 147.45
    tert-butyl acetate 179.82
    decalin 11.88
    glycerin 283.53
    diglyme 547.97
    acrylic acid 220.61
    isopropyl myristate 58.91
    n-butyric acid 392.28
    acetyl acetate 254.78
    di(2-ethylhexyl) phthalate 59.89
    ethyl propionate 186.64
    nitromethane 595.06
    1,2-diethoxyethane 319.31
    benzonitrile 177.66
    trioctyl phosphate 41.13
    1-bromopropane 176.83
    gamma-valerolactone 274.48
    n-decanol 54.9
    triethyl phosphate 70.42
    4-methyl-2-pentanol 107.69
    propionitrile 353.38
    vinylene carbonate 186.45
    1,1,2-trichlorotrifluoroethane 315.4
    DMS 129.62
    cumene 40.64
    2-octanol 46.6
    2-hexanone 175.95
    octyl acetate 72.99
    limonene 46.43
    1,2-dimethoxyethane 616.94
    ethyl orthosilicate 69.68
    tributyl phosphate 58.78
    diacetone alcohol 220.88
    N,N-dimethylaniline 93.84
    acrylonitrile 374.42
    aniline 169.36
    1,3-propanediol 435.28
    bromobenzene 117.45
    dibromomethane 344.59
    1,1,2,2-tetrachloroethane 452.74
    2-methyl-cyclohexyl acetate 97.57
    tetrabutyl urea 70.94
    diisobutyl methanol 60.05
    2-phenylethanol 134.24
    styrene 81.03
    dioctyl adipate 92.46
    dimethyl sulfate 113.06
    ethyl butyrate 152.37
    methyl lactate 121.64
    butyl lactate 90.63
    diethyl carbonate 116.44
    propanediol butyl ether 193.72
    triethyl orthoformate 102.15
    p-tert-butyltoluene 35.34
    methyl 4-tert-butylbenzoate 103.87
    morpholine 772.98
    tert-butylamine 232.79
    n-dodecanol 45.4
    dimethoxymethane 272.65
    ethylene carbonate 168.27
    cyrene 122.21
    2-ethoxyethyl acetate 164.06
    2-ethylhexyl acetate 122.39
    1,2,4-trichlorobenzene 119.34
    4-methylpyridine 224.42
    dibutyl ether 107.01
    2,6-dimethyl-4-heptanol 60.05
    DEF 181.5
    dimethyl isosorbide 227.64
    tetrachloroethylene 263.3
    eugenol 123.77
    triacetin 158.16
    span 80 143.85
    1,4-butanediol 184.84
    1,1-dichloroethane 279.73
    2-methyl-1-pentanol 204.83
    methyl formate 113.07
    2-methyl-1-butanol 213.24
    n-decane 9.03
    butyronitrile 307.19
    3,7-dimethyl-1-octanol 87.55
    1-chlorooctane 40.9
    1-chlorotetradecane 20.05
    n-nonane 7.79
    undecane 7.3
    tert-butylcyclohexane 11.12
    cyclooctane 5.8
    cyclopentanol 129.02
    tetrahydropyran 439.71
    tert-amyl methyl ether 172.46
    2,5,8-trioxanonane 384.77
    1-hexene 58.81
    2-isopropoxyethanol 340.11
    2,2,2-trifluoroethanol 120.74
    methyl butyrate 230.52

    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