Retinyl linoleate

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  • Identifiers

    CAS number
    631-89-0

    Molecular formula
    C38H60O2

    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 51.38%
    Floral 49.12%
    Oily 48.47%
    Balsamic 44.73%
    Waxy 43.47%
    Sweet 41.93%
    Fruity 38.56%
    Fatty 36.64%
    Green 35.76%
    Rose 27.92%

     

    Flavor
    Herbal 33.14%
    Balsam 31.74%
    Woody 27.15%
    Spicy 25.69%
    Balsamic 25.38%
    Wood 25.04%
    Oriental 22.73%
    Diterpene 22.66%
    Low 22.54%
    Opoponax 20.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.0

    pKa est.
    -164.95 (strong acid)

    Molecular weight
    548.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    584°C

    Flash point

    • -609.66 ˚C est.

  • Synonyms

    • all-trans-retinyl linoleate
    • Retinyl linoleate
    • Retinol linoleate
    • 631-89-0
    • O-linoleoyl-all-trans-retinol
    • Retinol, (Z,Z)-9,12-octadecadienoate
    • CHEBI:70762
    • DTXSID901021961
    • O(15)-[(9Z,12Z)-octadeca-9,12-dienoyl]retinol
    • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (9Z,12Z)-octadec-9,12-enoate
    • O(15)-((9Z,12Z)-octadeca-9,12-dienoyl)retinol
    • RefChem:879486
    • RETINOL, 15-((9Z,12Z)-9,12-OCTADECADIENOATE)
    • DTXCID401777705
    • 426-960-4
    • 61911N8D6W
    • Retinol, 9,12-octadecadienoate, (Z,Z)-
    • [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (9Z,12Z)-octadeca-9,12-dienoate
    • SCHEMBL1944228
    • XJKITIOIYQCXQR-SCUNHAKFSA-N
    • VAE 18:2
    • LMFA07011032
    • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (9Z,12Z)-octadeca-9,12-dienoate
    • Q27139072
    • 631-89-0

  • Applications

    Retinyl linoleate (CAS 631-89-0) is an oil-soluble vitamin A ester used primarily in cosmetics and personal care as an emollient and a lipophilic source of retinol in formulations such as moisturizers, serums, and lip products; it can serve as a carrier for retinoid actives within cosmetic systems and may be hydrolyzed in the skin to release retinol, contributing to formulation flexibility and stability of lipid-based products. In pharmaceutical topical applications, it may be used as a vitamin A ester precursor in retinoid-containing formulations under appropriate regulatory controls. In industrial manufacturing, it can function as an intermediate in the synthesis of retinoid compounds or as a lipid-based component in specialty coatings and lubricants where a vitamin A ester is desired. It is generally used where a lipophilic vitamin A source or emollient is required, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.42
    methanol 14.22
    isopropanol 4.7
    water 0.01
    ethyl acetate 49.23
    n-propanol 18.12
    acetone 20.22
    n-butanol 21.04
    acetonitrile 4.3
    DMF 26.61
    toluene 52.67
    isobutanol 11.7
    1,4-dioxane 62.07
    methyl acetate 22.72
    THF 159.95
    2-butanone 52.7
    n-pentanol 22.2
    sec-butanol 14.8
    n-hexane 9.76
    ethylene glycol 0.22
    NMP 111.37
    cyclohexane 15.01
    DMSO 21.02
    n-butyl acetate 54.47
    n-octanol 14.99
    chloroform 208.44
    n-propyl acetate 51.62
    acetic acid 13.95
    dichloromethane 223.58
    cyclohexanone 136.66
    propylene glycol 0.9
    isopropyl acetate 41.3
    DMAc 110.9
    2-ethoxyethanol 30.15
    isopentanol 21.41
    n-heptane 6.54
    ethyl formate 17.26
    1,2-dichloroethane 104.24
    n-hexanol 19.24
    2-methoxyethanol 21.26
    isobutyl acetate 40.26
    tetrachloromethane 27.43
    n-pentyl acetate 78.55
    transcutol 193.67
    n-heptanol 20.18
    ethylbenzene 37.87
    MIBK 43.69
    2-propoxyethanol 39.55
    tert-butanol 6.73
    MTBE 35.82
    2-butoxyethanol 51.44
    propionic acid 12.31
    o-xylene 31.65
    formic acid 3.34
    diethyl ether 48.8
    m-xylene 33.64
    p-xylene 37.44
    chlorobenzene 68.87
    dimethyl carbonate 11.51
    n-octane 2.59
    formamide 4.9
    cyclopentanone 99.53
    2-pentanone 53.77
    anisole 69.37
    cyclopentyl methyl ether 85.46
    gamma-butyrolactone 83.15
    1-methoxy-2-propanol 21.72
    pyridine 83.94
    3-pentanone 54.33
    furfural 63.11
    n-dodecane 1.35
    diethylene glycol 7.13
    diisopropyl ether 14.65
    tert-amyl alcohol 20.44
    acetylacetone 50.34
    n-hexadecane 1.61
    acetophenone 68.41
    methyl propionate 37.82
    isopentyl acetate 62.92
    trichloroethylene 200.22
    n-nonanol 18.66
    cyclohexanol 26.85
    benzyl alcohol 28.54
    2-ethylhexanol 24.45
    isooctanol 22.34
    dipropyl ether 47.06
    1,2-dichlorobenzene 79.04
    ethyl lactate 14.89
    propylene carbonate 46.51
    n-methylformamide 9.9
    2-pentanol 12.18
    n-pentane 5.69
    1-propoxy-2-propanol 36.35
    1-methoxy-2-propyl acetate 64.02
    2-(2-methoxypropoxy) propanol 55.54
    mesitylene 19.58
    ε-caprolactone 140.4
    p-cymene 20.39
    epichlorohydrin 144.43
    1,1,1-trichloroethane 82.6
    2-aminoethanol 1.98
    morpholine-4-carbaldehyde 73.49
    sulfolane 106.02
    2,2,4-trimethylpentane 6.29
    2-methyltetrahydrofuran 125.63
    n-hexyl acetate 72.5
    isooctane 2.63
    2-(2-butoxyethoxy)ethanol 70.19
    sec-butyl acetate 54.94
    tert-butyl acetate 58.67
    decalin 10.32
    glycerin 1.69
    diglyme 164.4
    acrylic acid 7.63
    isopropyl myristate 24.54
    n-butyric acid 37.27
    acetyl acetate 27.2
    di(2-ethylhexyl) phthalate 26.08
    ethyl propionate 53.26
    nitromethane 21.81
    1,2-diethoxyethane 88.48
    benzonitrile 22.14
    trioctyl phosphate 15.13
    1-bromopropane 84.83
    gamma-valerolactone 153.68
    n-decanol 11.19
    triethyl phosphate 33.93
    4-methyl-2-pentanol 11.04
    propionitrile 10.24
    vinylene carbonate 41.92
    1,1,2-trichlorotrifluoroethane 57.79
    DMS 27.95
    cumene 25.3
    2-octanol 12.93
    2-hexanone 64.21
    octyl acetate 31.17
    limonene 32.39
    1,2-dimethoxyethane 83.56
    ethyl orthosilicate 43.5
    tributyl phosphate 18.95
    diacetone alcohol 39.42
    N,N-dimethylaniline 52.18
    acrylonitrile 9.19
    aniline 30.74
    1,3-propanediol 5.78
    bromobenzene 91.3
    dibromomethane 132.01
    1,1,2,2-tetrachloroethane 171.11
    2-methyl-cyclohexyl acetate 71.63
    tetrabutyl urea 30.42
    diisobutyl methanol 14.73
    2-phenylethanol 33.84
    styrene 39.62
    dioctyl adipate 45.38
    dimethyl sulfate 22.15
    ethyl butyrate 67.42
    methyl lactate 9.5
    butyl lactate 36.66
    diethyl carbonate 31.46
    propanediol butyl ether 19.72
    triethyl orthoformate 62.41
    p-tert-butyltoluene 18.71
    methyl 4-tert-butylbenzoate 72.84
    morpholine 83.77
    tert-butylamine 5.78
    n-dodecanol 7.18
    dimethoxymethane 40.07
    ethylene carbonate 37.11
    cyrene 54.58
    2-ethoxyethyl acetate 97.1
    2-ethylhexyl acetate 62.23
    1,2,4-trichlorobenzene 92.99
    4-methylpyridine 78.02
    dibutyl ether 40.53
    2,6-dimethyl-4-heptanol 14.73
    DEF 69.6
    dimethyl isosorbide 123.2
    tetrachloroethylene 102.51
    eugenol 51.27
    triacetin 66.86
    span 80 47.51
    1,4-butanediol 2.34
    1,1-dichloroethane 65.35
    2-methyl-1-pentanol 34.85
    methyl formate 7.47
    2-methyl-1-butanol 25.0
    n-decane 3.57
    butyronitrile 16.24
    3,7-dimethyl-1-octanol 19.08
    1-chlorooctane 19.51
    1-chlorotetradecane 5.48
    n-nonane 3.13
    undecane 2.03
    tert-butylcyclohexane 8.48
    cyclooctane 5.64
    cyclopentanol 16.18
    tetrahydropyran 123.4
    tert-amyl methyl ether 51.55
    2,5,8-trioxanonane 90.62
    1-hexene 30.37
    2-isopropoxyethanol 27.09
    2,2,2-trifluoroethanol 3.97
    methyl butyrate 69.22

    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