((3,7-Dimethyl-2,6-octadienylidene)bis(oxy))bisisotridecane

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  • Identifiers

    CAS number
    93843-13-1

    Molecular formula
    C36H70O2

    SMILES
    CC(C)CCCCCCCCCCOC(/C=C(\C)/CCC=C(C)C)OCCCCCCCCCCC(C)C

  • Odor profile

    Fragrance
    Floral 63.28%
    Fruity 60.96%
    Green 56.79%
    Waxy 51.36%
    Fresh 49.84%
    Woody 47.66%
    Rose 42.16%
    Balsamic 38.87%
    Oily 38.06%
    Sweet 36.55%

     

    Flavor
    Waxy 39.51%
    Floral 34.69%
    Mild 32.39%
    Oily 28.06%
    Flower 26.92%
    Balsam 25.81%
    Delicate 24.54%
    Bland 24.09%
    Herbal 22.3%
    Diterpene 22.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.1

    pKa est.
    8.6 (weak base)

    Molecular weight
    534.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    526°C

    Flash point

    • 207.05 ˚C est.

  • Synonyms

    • EINECS 299-092-5
    • 93843-13-1
    • ((3,7-Dimethyl-2,6-octadienylidene)bis(oxy))bisisotridecane
    • SCHEMBL7782113
    • POZQODWYHFYBOC-JSLDZMDGSA-N
    • Isotridecane, ((3,7-dimethyl-2,6-octadienylidene)bis(oxy))bis-

  • Applications

    Chemical name ((3,7-Dimethyl-2,6-octadienylidene)bis(oxy))bisisotridecane, CAS 93843-13-1, is primarily used as a bulky diester for polymer and coating formulations, acting as a plasticizer and processing aid to improve flexibility and low-temperature performance; it can serve as a solvent or co-solvent in industrial formulations; it may function as a fragrance fixative or odorant component in perfumery due to its terpenoid-like skeleton; it is commonly evaluated as an intermediate for synthesizing specialty esters used in adhesives and coatings; and it can act as a lubricant or slip additive in polymer systems to reduce processing friction.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.85
    methanol 10.76
    isopropanol 28.62
    water 0.04
    ethyl acetate 397.13
    n-propanol 47.59
    acetone 148.13
    n-butanol 73.75
    acetonitrile 34.62
    DMF 94.26
    toluene 256.02
    isobutanol 61.19
    1,4-dioxane 300.52
    methyl acetate 168.98
    THF 685.51
    2-butanone 280.88
    n-pentanol 84.1
    sec-butanol 83.67
    n-hexane 167.86
    ethylene glycol 0.92
    NMP 469.3
    cyclohexane 432.71
    DMSO 118.12
    n-butyl acetate 501.4
    n-octanol 155.46
    chloroform 921.46
    n-propyl acetate 434.67
    acetic acid 64.07
    dichloromethane 827.43
    cyclohexanone 839.5
    propylene glycol 4.44
    isopropyl acetate 446.12
    DMAc 351.18
    2-ethoxyethanol 97.05
    isopentanol 112.39
    n-heptane 202.96
    ethyl formate 99.73
    1,2-dichloroethane 494.37
    n-hexanol 94.14
    2-methoxyethanol 59.95
    isobutyl acetate 355.24
    tetrachloromethane 280.19
    n-pentyl acetate 799.2
    transcutol 697.18
    n-heptanol 143.52
    ethylbenzene 232.4
    MIBK 365.99
    2-propoxyethanol 139.01
    tert-butanol 70.01
    MTBE 329.68
    2-butoxyethanol 239.05
    propionic acid 68.38
    o-xylene 244.52
    formic acid 6.97
    diethyl ether 285.98
    m-xylene 208.46
    p-xylene 318.86
    chlorobenzene 325.26
    dimethyl carbonate 66.8
    n-octane 95.82
    formamide 12.18
    cyclopentanone 604.6
    2-pentanone 352.59
    anisole 278.98
    cyclopentyl methyl ether 687.08
    gamma-butyrolactone 479.02
    1-methoxy-2-propanol 91.7
    pyridine 282.22
    3-pentanone 380.75
    furfural 270.65
    n-dodecane 37.62
    diethylene glycol 26.88
    diisopropyl ether 249.07
    tert-amyl alcohol 152.79
    acetylacetone 384.56
    n-hexadecane 47.06
    acetophenone 335.48
    methyl propionate 242.03
    isopentyl acetate 554.38
    trichloroethylene 866.38
    n-nonanol 181.28
    cyclohexanol 236.31
    benzyl alcohol 106.06
    2-ethylhexanol 184.3
    isooctanol 187.73
    dipropyl ether 513.68
    1,2-dichlorobenzene 382.17
    ethyl lactate 99.46
    propylene carbonate 337.7
    n-methylformamide 32.31
    2-pentanol 102.85
    n-pentane 93.17
    1-propoxy-2-propanol 214.49
    1-methoxy-2-propyl acetate 390.69
    2-(2-methoxypropoxy) propanol 239.35
    mesitylene 192.02
    ε-caprolactone 820.18
    p-cymene 216.02
    epichlorohydrin 575.21
    1,1,1-trichloroethane 883.01
    2-aminoethanol 6.22
    morpholine-4-carbaldehyde 279.9
    sulfolane 643.33
    2,2,4-trimethylpentane 117.91
    2-methyltetrahydrofuran 767.06
    n-hexyl acetate 697.0
    isooctane 64.03
    2-(2-butoxyethoxy)ethanol 280.18
    sec-butyl acetate 477.83
    tert-butyl acetate 630.02
    decalin 206.52
    glycerin 7.61
    diglyme 718.8
    acrylic acid 38.66
    isopropyl myristate 273.97
    n-butyric acid 226.87
    acetyl acetate 256.14
    di(2-ethylhexyl) phthalate 155.0
    ethyl propionate 430.91
    nitromethane 115.47
    1,2-diethoxyethane 571.15
    benzonitrile 139.41
    trioctyl phosphate 124.87
    1-bromopropane 484.36
    gamma-valerolactone 656.49
    n-decanol 112.83
    triethyl phosphate 288.88
    4-methyl-2-pentanol 101.86
    propionitrile 66.33
    vinylene carbonate 230.19
    1,1,2-trichlorotrifluoroethane 265.69
    DMS 229.72
    cumene 183.28
    2-octanol 155.04
    2-hexanone 396.45
    octyl acetate 294.35
    limonene 420.0
    1,2-dimethoxyethane 307.99
    ethyl orthosilicate 353.25
    tributyl phosphate 164.89
    diacetone alcohol 294.44
    N,N-dimethylaniline 244.46
    acrylonitrile 45.68
    aniline 127.23
    1,3-propanediol 20.67
    bromobenzene 466.23
    dibromomethane 643.36
    1,1,2,2-tetrachloroethane 871.95
    2-methyl-cyclohexyl acetate 542.7
    tetrabutyl urea 236.08
    diisobutyl methanol 183.1
    2-phenylethanol 123.58
    styrene 224.54
    dioctyl adipate 353.41
    dimethyl sulfate 134.0
    ethyl butyrate 591.36
    methyl lactate 56.33
    butyl lactate 318.36
    diethyl carbonate 288.67
    propanediol butyl ether 121.06
    triethyl orthoformate 553.29
    p-tert-butyltoluene 202.68
    methyl 4-tert-butylbenzoate 427.06
    morpholine 321.77
    tert-butylamine 72.55
    n-dodecanol 77.51
    dimethoxymethane 136.06
    ethylene carbonate 246.12
    cyrene 212.82
    2-ethoxyethyl acetate 628.55
    2-ethylhexyl acetate 590.75
    1,2,4-trichlorobenzene 424.88
    4-methylpyridine 351.44
    dibutyl ether 632.44
    2,6-dimethyl-4-heptanol 183.1
    DEF 378.54
    dimethyl isosorbide 561.45
    tetrachloroethylene 523.03
    eugenol 237.74
    triacetin 552.89
    span 80 241.89
    1,4-butanediol 11.09
    1,1-dichloroethane 512.67
    2-methyl-1-pentanol 142.37
    methyl formate 30.14
    2-methyl-1-butanol 121.6
    n-decane 107.55
    butyronitrile 107.93
    3,7-dimethyl-1-octanol 202.57
    1-chlorooctane 315.96
    1-chlorotetradecane 94.65
    n-nonane 108.38
    undecane 57.82
    tert-butylcyclohexane 156.41
    cyclooctane 197.34
    cyclopentanol 151.2
    tetrahydropyran 694.4
    tert-amyl methyl ether 441.92
    2,5,8-trioxanonane 360.77
    1-hexene 245.25
    2-isopropoxyethanol 121.86
    2,2,2-trifluoroethanol 31.26
    methyl butyrate 487.58

    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