2-Propenoic acid, 3-hydroxy-2-methyl-, (2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxo-2,6,10,14-hexadecatetraenyl ester, (2Z)-

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  • Identifiers

    CAS number
    128552-90-9

    Molecular formula
    C24H36O4

    SMILES
    C/C(=C\CC/C(=C/COC(=O)/C(=C\O)/C)/C)/CC/C=C(\C)/CC/C=C(\C)/C=O

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.05%
    Sweet 54.28%
    Waxy 51.58%
    Citrus 45.65%
    Green 44.9%
    Rose 44.29%
    Fresh 43.81%
    Fruity 37.5%
    Woody 34.68%
    Aldehydic 33.08%

     

    Flavor
    Floral 38.09%
    Herbal 36.38%
    Fruity 33.95%
    Sweet 33.51%
    Green 31.02%
    Rose 29.61%
    Spicy 28.94%
    Waxy 28.48%
    Orange 27.27%
    Citrus 24.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.98 (neutral)

    Molecular weight
    388.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    469°C

    Flash point

    • 218.68 ˚C est.

  • Synonyms

    • 128552-90-9
    • 2-Propenoic acid, 3-hydroxy-2-methyl-, (2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxo-2,6,10,14-hexadecatetraenyl ester, (2Z)-
    • ((2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenyl) (Z)-3-hydroxy-2-methylprop-2-enoate
    • [(2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenyl] (Z)-3-hydroxy-2-methylprop-2-enoate
    • RefChem:89282
    • orb2942966
    • DTXSID901103971
    • 128552-90-9

  • Applications

    2-Propenoic acid, 3-hydroxy-2-methyl-, (2E,6E,10E,14E)-3,7,11,15-tetramethyl-16-oxo-2,6,10,14-hexadecatetraenyl ester, (2Z)- (CAS number: 128552-90-9) is retinyl acrylate, a vitamin A ester used in cosmetics and personal care as a retinol source in skincare formulations; it can be hydrolyzed to release retinol, and its acrylate functionality enables use as a reactive monomer or additive in specialty polymers and UV-curable coatings and inks, allowing incorporation of a retinol moiety into polymer matrices. In pharmaceutical/dermatology contexts it may serve as a vitamin A derivative in topical formulations or as an intermediate for retinoid synthesis, and it can function as a reservoir of retinol in formulated products, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.54
    methanol 9.9
    isopropanol 4.59
    water 0.01
    ethyl acetate 19.16
    n-propanol 9.57
    acetone 12.05
    n-butanol 10.92
    acetonitrile 2.79
    DMF 16.58
    toluene 12.97
    isobutanol 5.39
    1,4-dioxane 41.21
    methyl acetate 11.35
    THF 136.29
    2-butanone 25.59
    n-pentanol 14.25
    sec-butanol 10.62
    n-hexane 1.77
    ethylene glycol 0.21
    NMP 39.46
    cyclohexane 2.07
    DMSO 21.64
    n-butyl acetate 13.29
    n-octanol 5.51
    chloroform 75.08
    n-propyl acetate 16.4
    acetic acid 8.3
    dichloromethane 63.7
    cyclohexanone 41.85
    propylene glycol 1.19
    isopropyl acetate 16.08
    DMAc 76.28
    2-ethoxyethanol 30.64
    isopentanol 11.12
    n-heptane 0.9
    ethyl formate 6.0
    1,2-dichloroethane 31.97
    n-hexanol 8.84
    2-methoxyethanol 20.25
    isobutyl acetate 12.33
    tetrachloromethane 6.93
    n-pentyl acetate 16.3
    transcutol 176.4
    n-heptanol 7.23
    ethylbenzene 10.27
    MIBK 18.55
    2-propoxyethanol 26.49
    tert-butanol 9.99
    MTBE 24.21
    2-butoxyethanol 24.74
    propionic acid 5.58
    o-xylene 9.55
    formic acid 2.28
    diethyl ether 20.32
    m-xylene 8.75
    p-xylene 10.65
    chlorobenzene 13.39
    dimethyl carbonate 4.71
    n-octane 0.43
    formamide 4.03
    cyclopentanone 37.02
    2-pentanone 21.6
    anisole 26.84
    cyclopentyl methyl ether 34.47
    gamma-butyrolactone 31.16
    1-methoxy-2-propanol 21.66
    pyridine 29.22
    3-pentanone 19.3
    furfural 25.82
    n-dodecane 0.27
    diethylene glycol 6.28
    diisopropyl ether 5.48
    tert-amyl alcohol 18.48
    acetylacetone 22.9
    n-hexadecane 0.32
    acetophenone 23.11
    methyl propionate 12.65
    isopentyl acetate 17.16
    trichloroethylene 70.83
    n-nonanol 6.69
    cyclohexanol 10.9
    benzyl alcohol 14.07
    2-ethylhexanol 7.24
    isooctanol 7.39
    dipropyl ether 12.81
    1,2-dichlorobenzene 15.62
    ethyl lactate 7.41
    propylene carbonate 15.33
    n-methylformamide 5.22
    2-pentanol 7.63
    n-pentane 0.98
    1-propoxy-2-propanol 21.3
    1-methoxy-2-propyl acetate 26.48
    2-(2-methoxypropoxy) propanol 32.13
    mesitylene 5.43
    ε-caprolactone 38.37
    p-cymene 4.85
    epichlorohydrin 72.05
    1,1,1-trichloroethane 24.96
    2-aminoethanol 1.65
    morpholine-4-carbaldehyde 39.02
    sulfolane 44.69
    2,2,4-trimethylpentane 1.57
    2-methyltetrahydrofuran 63.92
    n-hexyl acetate 18.97
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 43.8
    sec-butyl acetate 17.11
    tert-butyl acetate 26.79
    decalin 2.08
    glycerin 2.11
    diglyme 102.45
    acrylic acid 3.82
    isopropyl myristate 6.52
    n-butyric acid 13.59
    acetyl acetate 9.92
    di(2-ethylhexyl) phthalate 7.87
    ethyl propionate 16.1
    nitromethane 14.69
    1,2-diethoxyethane 39.48
    benzonitrile 8.43
    trioctyl phosphate 4.13
    1-bromopropane 21.02
    gamma-valerolactone 62.42
    n-decanol 4.11
    triethyl phosphate 10.24
    4-methyl-2-pentanol 6.7
    propionitrile 4.74
    vinylene carbonate 11.35
    1,1,2-trichlorotrifluoroethane 32.78
    DMS 9.65
    cumene 7.08
    2-octanol 4.5
    2-hexanone 24.97
    octyl acetate 8.05
    limonene 7.29
    1,2-dimethoxyethane 66.36
    ethyl orthosilicate 13.01
    tributyl phosphate 5.4
    diacetone alcohol 27.69
    N,N-dimethylaniline 20.75
    acrylonitrile 4.39
    aniline 11.23
    1,3-propanediol 4.33
    bromobenzene 14.53
    dibromomethane 37.88
    1,1,2,2-tetrachloroethane 67.81
    2-methyl-cyclohexyl acetate 20.74
    tetrabutyl urea 9.28
    diisobutyl methanol 5.09
    2-phenylethanol 13.16
    styrene 10.02
    dioctyl adipate 13.26
    dimethyl sulfate 9.35
    ethyl butyrate 16.38
    methyl lactate 5.37
    butyl lactate 11.96
    diethyl carbonate 8.58
    propanediol butyl ether 13.73
    triethyl orthoformate 18.66
    p-tert-butyltoluene 4.95
    methyl 4-tert-butylbenzoate 25.11
    morpholine 62.76
    tert-butylamine 5.96
    n-dodecanol 2.57
    dimethoxymethane 24.6
    ethylene carbonate 8.9
    cyrene 31.68
    2-ethoxyethyl acetate 29.64
    2-ethylhexyl acetate 14.67
    1,2,4-trichlorobenzene 20.32
    4-methylpyridine 25.93
    dibutyl ether 11.61
    2,6-dimethyl-4-heptanol 5.09
    DEF 28.45
    dimethyl isosorbide 71.06
    tetrachloroethylene 33.59
    eugenol 23.82
    triacetin 21.95
    span 80 21.84
    1,4-butanediol 2.13
    1,1-dichloroethane 22.29
    2-methyl-1-pentanol 19.19
    methyl formate 3.39
    2-methyl-1-butanol 12.18
    n-decane 0.65
    butyronitrile 7.33
    3,7-dimethyl-1-octanol 7.17
    1-chlorooctane 4.25
    1-chlorotetradecane 1.18
    n-nonane 0.55
    undecane 0.39
    tert-butylcyclohexane 2.05
    cyclooctane 0.75
    cyclopentanol 8.35
    tetrahydropyran 52.1
    tert-amyl methyl ether 28.53
    2,5,8-trioxanonane 62.5
    1-hexene 8.24
    2-isopropoxyethanol 23.32
    2,2,2-trifluoroethanol 2.41
    methyl butyrate 22.52

    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