Hydroxypinacolone Retinoate

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  • Identifiers

    CAS number
    893412-73-2

    Molecular formula
    C26H38O3

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC(=O)C(C)(C)C)/C)/C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 68.1%
    Floral 62.13%
    Fruity 56.8%
    Sweet 56.11%
    Berry 44.96%
    Powdery 43.5%
    Violet 40.01%
    Tropical 37.95%
    Rose 36.87%
    Balsamic 35.2%

     

    Flavor
    Woody 25.21%
    Herbal 21.62%
    Bitter 21.16%
    Oriental 21.15%
    Heather 21.0%
    Genet 20.82%
    Broom 20.78%
    Bergamot 20.69%
    Sandalwood 19.53%
    Light 19.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    6.72 (neutral)

    Molecular weight
    398.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    461°C

    Flash point

    • 194.32 ˚C est.

  • Synonyms

    • Hydroxypinacolone retinoate
    • 893412-73-2
    • Granactive retexture T
    • MDI 101
    • UNII-NJ3V2F02E1
    • NJ3V2F02E1
    • Retinoic acid, 3,3-dimethyl-2-oxobutyl ester
    • Retinoic acid, 1-hydroxy-3,3-diemthyl-2-butanone ester, trans
    • RefChem:147250
    • HYDROXYPINACOLONE RETINOATE [INCI]
    • 826-245-0
    • (2E,4E,6E,8E)-3,3-Dimethyl-2-oxobutyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
    • MFCD23703841
    • Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester
    • (3,3-dimethyl-2-oxobutyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
    • Hydroxypinacolone Retinoate 10%
    • Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester;
    • C26H38O3
    • Hydroxypinacolone?Retinoate
    • orb2664688
    • Hydroxypinacolone?Retinoate?10%
    • SCHEMBL13124361
    • MDI-101
    • MSK170186
    • 3,3-dimethyl-2-oxobutyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
    • AS-83392
    • SY380628
    • CS-0438656
    • I10284
    • Q27284891
    • (2E,4E,6E,8E)-3,3-Dimethyl-2-oxobutyl3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
    • (3,3-dimethyl-2-oxo-butyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
    • 3,3-Dimethyl-2-oxobutyl (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)nona-2,4,6,8-tetraenoate
    • 893412-73-2

  • Applications

    Hydroxypinacolone retinoate (CAS 893412-73-2) is primarily used in cosmetics and personal care as an active retinoid ingredient in serums and creams, where its ester form is valued for delivering retinoid activity with potentially improved tolerability and compatibility with standard formulations. In pharmaceutical research and development, it is used as an intermediate in the synthesis of retinoid drugs and related derivatives. In industrial chemical manufacturing, it serves as a building block for further retinoid derivatives and related specialty chemicals. In research and development settings, it supports formulation science and delivery studies (such as encapsulation and compatibility testing) to evaluate stability and skin-penetration characteristics, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.31
    methanol 15.77
    isopropanol 8.08
    water 0.01
    ethyl acetate 57.22
    n-propanol 20.51
    acetone 26.62
    n-butanol 21.6
    acetonitrile 8.38
    DMF 62.03
    toluene 53.84
    isobutanol 13.68
    1,4-dioxane 82.2
    methyl acetate 32.83
    THF 244.47
    2-butanone 55.98
    n-pentanol 31.22
    sec-butanol 21.52
    n-hexane 4.68
    ethylene glycol 0.38
    NMP 138.42
    cyclohexane 3.92
    DMSO 26.47
    n-butyl acetate 63.2
    n-octanol 21.03
    chloroform 210.48
    n-propyl acetate 55.26
    acetic acid 19.82
    dichloromethane 177.31
    cyclohexanone 95.59
    propylene glycol 2.08
    isopropyl acetate 48.23
    DMAc 154.39
    2-ethoxyethanol 53.48
    isopentanol 23.27
    n-heptane 3.26
    ethyl formate 18.04
    1,2-dichloroethane 76.87
    n-hexanol 33.74
    2-methoxyethanol 38.11
    isobutyl acetate 48.71
    tetrachloromethane 17.48
    n-pentyl acetate 60.05
    transcutol 284.71
    n-heptanol 25.38
    ethylbenzene 44.59
    MIBK 46.98
    2-propoxyethanol 82.73
    tert-butanol 15.66
    MTBE 48.62
    2-butoxyethanol 67.42
    propionic acid 14.56
    o-xylene 32.51
    formic acid 4.8
    diethyl ether 45.64
    m-xylene 40.91
    p-xylene 45.74
    chlorobenzene 62.92
    dimethyl carbonate 17.7
    n-octane 1.49
    formamide 9.14
    cyclopentanone 105.31
    2-pentanone 51.81
    anisole 102.56
    cyclopentyl methyl ether 87.98
    gamma-butyrolactone 101.43
    1-methoxy-2-propanol 47.45
    pyridine 96.63
    3-pentanone 44.41
    furfural 86.08
    n-dodecane 0.92
    diethylene glycol 18.05
    diisopropyl ether 14.95
    tert-amyl alcohol 34.02
    acetylacetone 62.43
    n-hexadecane 1.09
    acetophenone 86.47
    methyl propionate 44.57
    isopentyl acetate 74.72
    trichloroethylene 196.38
    n-nonanol 23.92
    cyclohexanol 21.18
    benzyl alcohol 45.66
    2-ethylhexanol 29.99
    isooctanol 25.51
    dipropyl ether 42.46
    1,2-dichlorobenzene 68.92
    ethyl lactate 21.93
    propylene carbonate 58.3
    n-methylformamide 17.17
    2-pentanol 16.33
    n-pentane 2.26
    1-propoxy-2-propanol 67.82
    1-methoxy-2-propyl acetate 94.2
    2-(2-methoxypropoxy) propanol 90.67
    mesitylene 21.57
    ε-caprolactone 107.31
    p-cymene 22.76
    epichlorohydrin 173.17
    1,1,1-trichloroethane 72.34
    2-aminoethanol 3.52
    morpholine-4-carbaldehyde 130.44
    sulfolane 108.1
    2,2,4-trimethylpentane 3.57
    2-methyltetrahydrofuran 139.06
    n-hexyl acetate 69.81
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 103.67
    sec-butyl acetate 59.04
    tert-butyl acetate 73.91
    decalin 5.76
    glycerin 3.48
    diglyme 189.09
    acrylic acid 10.4
    isopropyl myristate 25.35
    n-butyric acid 34.55
    acetyl acetate 35.42
    di(2-ethylhexyl) phthalate 34.43
    ethyl propionate 53.74
    nitromethane 41.34
    1,2-diethoxyethane 93.36
    benzonitrile 35.16
    trioctyl phosphate 17.34
    1-bromopropane 55.52
    gamma-valerolactone 168.65
    n-decanol 14.98
    triethyl phosphate 32.32
    4-methyl-2-pentanol 15.99
    propionitrile 14.65
    vinylene carbonate 46.54
    1,1,2-trichlorotrifluoroethane 69.7
    DMS 41.37
    cumene 30.2
    2-octanol 16.49
    2-hexanone 67.0
    octyl acetate 33.34
    limonene 28.0
    1,2-dimethoxyethane 120.56
    ethyl orthosilicate 37.23
    tributyl phosphate 20.59
    diacetone alcohol 63.65
    N,N-dimethylaniline 76.83
    acrylonitrile 16.0
    aniline 37.74
    1,3-propanediol 8.24
    bromobenzene 74.79
    dibromomethane 101.15
    1,1,2,2-tetrachloroethane 158.31
    2-methyl-cyclohexyl acetate 74.93
    tetrabutyl urea 32.45
    diisobutyl methanol 15.81
    2-phenylethanol 59.45
    styrene 46.87
    dioctyl adipate 47.46
    dimethyl sulfate 29.88
    ethyl butyrate 62.9
    methyl lactate 15.13
    butyl lactate 41.84
    diethyl carbonate 33.87
    propanediol butyl ether 38.15
    triethyl orthoformate 53.81
    p-tert-butyltoluene 22.19
    methyl 4-tert-butylbenzoate 88.6
    morpholine 120.14
    tert-butylamine 10.73
    n-dodecanol 9.44
    dimethoxymethane 65.01
    ethylene carbonate 32.74
    cyrene 87.47
    2-ethoxyethyl acetate 92.8
    2-ethylhexyl acetate 68.19
    1,2,4-trichlorobenzene 84.58
    4-methylpyridine 105.19
    dibutyl ether 31.3
    2,6-dimethyl-4-heptanol 15.81
    DEF 73.61
    dimethyl isosorbide 198.96
    tetrachloroethylene 78.04
    eugenol 79.27
    triacetin 76.42
    span 80 72.77
    1,4-butanediol 4.37
    1,1-dichloroethane 64.21
    2-methyl-1-pentanol 42.7
    methyl formate 11.84
    2-methyl-1-butanol 27.16
    n-decane 2.31
    butyronitrile 21.09
    3,7-dimethyl-1-octanol 24.12
    1-chlorooctane 16.71
    1-chlorotetradecane 4.57
    n-nonane 1.97
    undecane 1.36
    tert-butylcyclohexane 6.1
    cyclooctane 1.82
    cyclopentanol 18.13
    tetrahydropyran 95.96
    tert-amyl methyl ether 55.85
    2,5,8-trioxanonane 119.22
    1-hexene 24.33
    2-isopropoxyethanol 49.94
    2,2,2-trifluoroethanol 5.8
    methyl butyrate 68.78

    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