Diretinyl ether

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  • Identifiers

    CAS number
    442662-30-8

    Molecular formula
    C40H58O

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C

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  • Odor profile

    Fragrance
    Woody 64.9%
    Floral 58.85%
    Balsamic 50.43%
    Sweet 49.92%
    Fruity 47.19%
    Tropical 39.92%
    Berry 38.32%
    Powdery 37.77%
    Sandalwood 32.22%
    Oily 31.8%

     

    Flavor
    Balsam 40.62%
    Balsamic 29.46%
    Wood 26.18%
    Oriental 25.25%
    Herbal 25.13%
    Spicy 24.96%
    Sweet 24.8%
    Woody 23.76%
    Diterpene 21.74%
    Low 21.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    554.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    620°C

    Flash point

    • 261.05 ˚C est.

  • Synonyms

    • Diretinyl ether
    • Chebiretiether
    • Retin, 15,15'-oxybis-
    • UNII-3915JD4G86
    • 442662-30-8
    • 3915JD4G86
    • DTXSID00196093
    • RefChem:134892
    • DIRETINYL ETHER [INCI]
    • DTXCID10118584
    • SCHEMBL26089663
    • Q27256837
    • 2-[(1E,3E,5E,7E)-9-{[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]oxy}-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohex-1-ene
    • 442662-30-8

  • Applications

    Diretinyl ether (CAS 442662-30-8) may be used in perfumery and cosmetics as a fragrance ingredient and, where applicable, as a fixative or odorant; in personal care products it may also function as a solvent or formulation additive. It may be evaluated as a solvent or processing aid in industrial coatings and inks formulations. In polymer and plastics formulations, it could act as a plasticizer or processing aid. It may also be considered as an organic synthesis intermediate in various industrial manufacturing contexts. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.12
    methanol 0.14
    isopropanol 0.02
    water 0.0
    ethyl acetate 1.05
    n-propanol 0.16
    acetone 0.33
    n-butanol 0.21
    acetonitrile 0.09
    DMF 0.58
    toluene 3.57
    isobutanol 0.1
    1,4-dioxane 1.71
    methyl acetate 0.46
    THF 6.53
    2-butanone 0.97
    n-pentanol 0.36
    sec-butanol 0.1
    n-hexane 0.5
    ethylene glycol 0.0
    NMP 4.59
    cyclohexane 0.57
    DMSO 0.37
    n-butyl acetate 2.24
    n-octanol 0.34
    chloroform 9.57
    n-propyl acetate 1.63
    acetic acid 0.21
    dichloromethane 8.14
    cyclohexanone 3.34
    propylene glycol 0.01
    isopropyl acetate 0.91
    DMAc 2.81
    2-ethoxyethanol 0.57
    isopentanol 0.22
    n-heptane 0.61
    ethyl formate 0.39
    1,2-dichloroethane 2.53
    n-hexanol 0.44
    2-methoxyethanol 0.25
    isobutyl acetate 1.66
    tetrachloromethane 1.18
    n-pentyl acetate 2.41
    transcutol 4.23
    n-heptanol 0.53
    ethylbenzene 2.99
    MIBK 1.09
    2-propoxyethanol 1.12
    tert-butanol 0.04
    MTBE 0.77
    2-butoxyethanol 1.34
    propionic acid 0.18
    o-xylene 2.04
    formic acid 0.06
    diethyl ether 0.97
    m-xylene 2.39
    p-xylene 2.51
    chlorobenzene 3.33
    dimethyl carbonate 0.36
    n-octane 0.18
    formamide 0.09
    cyclopentanone 3.37
    2-pentanone 1.03
    anisole 4.28
    cyclopentyl methyl ether 4.04
    gamma-butyrolactone 2.69
    1-methoxy-2-propanol 0.26
    pyridine 3.73
    3-pentanone 1.47
    furfural 2.84
    n-dodecane 0.08
    diethylene glycol 0.13
    diisopropyl ether 0.46
    tert-amyl alcohol 0.2
    acetylacetone 1.18
    n-hexadecane 0.1
    acetophenone 3.46
    methyl propionate 0.91
    isopentyl acetate 2.83
    trichloroethylene 7.76
    n-nonanol 0.54
    cyclohexanol 0.36
    benzyl alcohol 0.93
    2-ethylhexanol 0.95
    isooctanol 0.65
    dipropyl ether 3.16
    1,2-dichlorobenzene 4.28
    ethyl lactate 0.42
    propylene carbonate 1.58
    n-methylformamide 0.19
    2-pentanol 0.11
    n-pentane 0.18
    1-propoxy-2-propanol 1.02
    1-methoxy-2-propyl acetate 2.85
    2-(2-methoxypropoxy) propanol 2.86
    mesitylene 1.4
    ε-caprolactone 3.98
    p-cymene 1.89
    epichlorohydrin 4.49
    1,1,1-trichloroethane 2.49
    2-aminoethanol 0.02
    morpholine-4-carbaldehyde 2.68
    sulfolane 3.71
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 4.42
    n-hexyl acetate 2.31
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 2.22
    sec-butyl acetate 1.94
    tert-butyl acetate 1.92
    decalin 0.75
    glycerin 0.02
    diglyme 5.93
    acrylic acid 0.14
    isopropyl myristate 1.27
    n-butyric acid 0.55
    acetyl acetate 0.82
    di(2-ethylhexyl) phthalate 1.45
    ethyl propionate 2.05
    nitromethane 0.42
    1,2-diethoxyethane 3.45
    benzonitrile 0.82
    trioctyl phosphate 0.67
    1-bromopropane 2.63
    gamma-valerolactone 5.03
    n-decanol 0.35
    triethyl phosphate 2.71
    4-methyl-2-pentanol 0.16
    propionitrile 0.22
    vinylene carbonate 1.58
    1,1,2-trichlorotrifluoroethane 1.74
    DMS 1.01
    cumene 2.04
    2-octanol 0.28
    2-hexanone 2.21
    octyl acetate 1.27
    limonene 2.51
    1,2-dimethoxyethane 2.62
    ethyl orthosilicate 3.62
    tributyl phosphate 0.9
    diacetone alcohol 0.83
    N,N-dimethylaniline 3.91
    acrylonitrile 0.22
    aniline 1.0
    1,3-propanediol 0.05
    bromobenzene 5.85
    dibromomethane 5.24
    1,1,2,2-tetrachloroethane 5.51
    2-methyl-cyclohexyl acetate 5.39
    tetrabutyl urea 1.55
    diisobutyl methanol 0.58
    2-phenylethanol 1.37
    styrene 2.58
    dioctyl adipate 2.66
    dimethyl sulfate 0.82
    ethyl butyrate 4.01
    methyl lactate 0.19
    butyl lactate 0.96
    diethyl carbonate 1.86
    propanediol butyl ether 0.4
    triethyl orthoformate 4.73
    p-tert-butyltoluene 1.7
    methyl 4-tert-butylbenzoate 4.95
    morpholine 1.83
    tert-butylamine 0.05
    n-dodecanol 0.22
    dimethoxymethane 0.97
    ethylene carbonate 1.11
    cyrene 3.2
    2-ethoxyethyl acetate 3.12
    2-ethylhexyl acetate 3.8
    1,2,4-trichlorobenzene 4.95
    4-methylpyridine 3.11
    dibutyl ether 1.78
    2,6-dimethyl-4-heptanol 0.58
    DEF 1.68
    dimethyl isosorbide 8.92
    tetrachloroethylene 3.48
    eugenol 2.61
    triacetin 2.6
    span 80 1.85
    1,4-butanediol 0.03
    1,1-dichloroethane 1.29
    2-methyl-1-pentanol 0.68
    methyl formate 0.17
    2-methyl-1-butanol 0.3
    n-decane 0.22
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.88
    1-chlorotetradecane 0.28
    n-nonane 0.18
    undecane 0.12
    tert-butylcyclohexane 0.71
    cyclooctane 0.37
    cyclopentanol 0.26
    tetrahydropyran 3.27
    tert-amyl methyl ether 1.77
    2,5,8-trioxanonane 4.36
    1-hexene 1.33
    2-isopropoxyethanol 0.56
    2,2,2-trifluoroethanol 0.08
    methyl butyrate 2.27

    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