Isotridecane, 1,1'-[(3,6-dimethyl-2,6-octadienylidene)bis(oxy)]bis-

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  • Identifiers

    CAS number
    67923-86-8

    Molecular formula
    C36H70O2

    SMILES
    CC=C(C)CC=C(C)CC(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.44%
    Fruity 61.42%
    Green 55.12%
    Waxy 50.55%
    Fresh 48.33%
    Woody 43.76%
    Rose 43.34%
    Oily 38.29%
    Balsamic 38.27%
    Sweet 35.66%

     

    Flavor
    Waxy 36.47%
    Floral 33.76%
    Mild 29.79%
    Oily 25.84%
    Flower 25.55%
    Delicate 24.49%
    Herbal 23.42%
    Fresh 23.36%
    Balsam 22.92%
    Bland 22.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.3

    pKa est.
    8.96 (weak base)

    Molecular weight
    534.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point

    • 207.3 ˚C est.

  • Synonyms

    • 67923-86-8
    • Isotridecane, 1,1'-[(3,6-dimethyl-2,6-octadienylidene)bis(oxy)]bis-
    • SCHEMBL29827524
    • ACMRDVFLNVZDCX-UHFFFAOYSA-N
    • 5FX2Z62G39
    • 1,1'-[(3,6-Dimethyl-2,6-octadien-1-ylidene)bis(oxy)]bis[isotridecane]
    • 67923-86-8

  • Applications

    Isotridecane, 1,1'-[(3,6-dimethyl-2,6-octadienylidene)bis(oxy)]bis- (CAS number: 67923-86-8) is typically employed as a fragrance-related ingredient and processing aid in several industries. It is commonly used as a solvent and fixative for essential oils and fragrance components in perfumery, helping to extend fragrance longevity in compositions. It may serve as a carrier and solvent in cosmetics/personal care products, including lotions and creams. In household products, it functions as a fragrance solvent and carrier, aiding formulation of air fresheners, cleaners, and detergents. In polymers and coatings, it can act as a processing aid or plasticizer for specialty polymer formulations, helping modify phase behavior and flexibility. It also appears as a component in coatings, inks, and adhesives formulations where a lipophilic vehicle or odorant carrier is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.12
    methanol 9.54
    isopropanol 30.7
    water 0.03
    ethyl acetate 464.81
    n-propanol 48.61
    acetone 173.05
    n-butanol 77.61
    acetonitrile 40.08
    DMF 120.53
    toluene 298.08
    isobutanol 65.97
    1,4-dioxane 349.7
    methyl acetate 207.84
    THF 730.05
    2-butanone 331.3
    n-pentanol 85.37
    sec-butanol 92.19
    n-hexane 167.08
    ethylene glycol 1.05
    NMP 543.47
    cyclohexane 468.41
    DMSO 152.33
    n-butyl acetate 571.89
    n-octanol 160.3
    chloroform 1201.75
    n-propyl acetate 491.16
    acetic acid 68.73
    dichloromethane 1049.03
    cyclohexanone 942.04
    propylene glycol 5.11
    isopropyl acetate 504.27
    DMAc 449.38
    2-ethoxyethanol 106.81
    isopentanol 117.35
    n-heptane 201.0
    ethyl formate 114.5
    1,2-dichloroethane 609.46
    n-hexanol 97.93
    2-methoxyethanol 65.15
    isobutyl acetate 399.98
    tetrachloromethane 355.09
    n-pentyl acetate 873.64
    transcutol 763.79
    n-heptanol 143.22
    ethylbenzene 258.93
    MIBK 409.27
    2-propoxyethanol 152.73
    tert-butanol 76.28
    MTBE 369.34
    2-butoxyethanol 249.65
    propionic acid 79.62
    o-xylene 286.66
    formic acid 7.4
    diethyl ether 312.63
    m-xylene 237.61
    p-xylene 353.16
    chlorobenzene 378.4
    dimethyl carbonate 87.04
    n-octane 94.65
    formamide 13.65
    cyclopentanone 688.85
    2-pentanone 407.31
    anisole 324.94
    cyclopentyl methyl ether 745.74
    gamma-butyrolactone 553.64
    1-methoxy-2-propanol 102.89
    pyridine 332.26
    3-pentanone 445.03
    furfural 319.87
    n-dodecane 37.04
    diethylene glycol 30.38
    diisopropyl ether 264.57
    tert-amyl alcohol 165.71
    acetylacetone 456.33
    n-hexadecane 46.81
    acetophenone 389.29
    methyl propionate 287.15
    isopentyl acetate 624.93
    trichloroethylene 1119.07
    n-nonanol 186.27
    cyclohexanol 262.03
    benzyl alcohol 119.51
    2-ethylhexanol 193.22
    isooctanol 191.83
    dipropyl ether 545.92
    1,2-dichlorobenzene 466.43
    ethyl lactate 118.97
    propylene carbonate 400.1
    n-methylformamide 37.46
    2-pentanol 108.41
    n-pentane 94.13
    1-propoxy-2-propanol 230.96
    1-methoxy-2-propyl acetate 454.5
    2-(2-methoxypropoxy) propanol 266.26
    mesitylene 210.77
    ε-caprolactone 918.73
    p-cymene 236.97
    epichlorohydrin 678.2
    1,1,1-trichloroethane 1112.34
    2-aminoethanol 6.59
    morpholine-4-carbaldehyde 334.53
    sulfolane 783.19
    2,2,4-trimethylpentane 119.55
    2-methyltetrahydrofuran 835.56
    n-hexyl acetate 773.55
    isooctane 62.02
    2-(2-butoxyethoxy)ethanol 303.37
    sec-butyl acetate 536.98
    tert-butyl acetate 702.32
    decalin 213.2
    glycerin 8.79
    diglyme 814.69
    acrylic acid 44.52
    isopropyl myristate 293.73
    n-butyric acid 252.42
    acetyl acetate 312.95
    di(2-ethylhexyl) phthalate 175.36
    ethyl propionate 498.49
    nitromethane 145.0
    1,2-diethoxyethane 649.03
    benzonitrile 166.03
    trioctyl phosphate 136.1
    1-bromopropane 560.4
    gamma-valerolactone 744.38
    n-decanol 117.31
    triethyl phosphate 343.38
    4-methyl-2-pentanol 102.71
    propionitrile 76.98
    vinylene carbonate 281.38
    1,1,2-trichlorotrifluoroethane 337.2
    DMS 286.51
    cumene 196.84
    2-octanol 155.19
    2-hexanone 435.26
    octyl acetate 321.75
    limonene 454.54
    1,2-dimethoxyethane 359.68
    ethyl orthosilicate 403.24
    tributyl phosphate 183.29
    diacetone alcohol 325.82
    N,N-dimethylaniline 275.66
    acrylonitrile 55.0
    aniline 150.02
    1,3-propanediol 22.28
    bromobenzene 559.19
    dibromomethane 798.13
    1,1,2,2-tetrachloroethane 1128.52
    2-methyl-cyclohexyl acetate 596.63
    tetrabutyl urea 265.32
    diisobutyl methanol 185.2
    2-phenylethanol 136.24
    styrene 250.54
    dioctyl adipate 397.66
    dimethyl sulfate 181.04
    ethyl butyrate 658.62
    methyl lactate 69.63
    butyl lactate 356.56
    diethyl carbonate 333.18
    propanediol butyl ether 133.43
    triethyl orthoformate 615.19
    p-tert-butyltoluene 216.29
    methyl 4-tert-butylbenzoate 485.14
    morpholine 365.2
    tert-butylamine 76.67
    n-dodecanol 81.3
    dimethoxymethane 159.26
    ethylene carbonate 298.16
    cyrene 244.89
    2-ethoxyethyl acetate 725.25
    2-ethylhexyl acetate 673.88
    1,2,4-trichlorobenzene 535.28
    4-methylpyridine 403.25
    dibutyl ether 675.83
    2,6-dimethyl-4-heptanol 185.2
    DEF 453.8
    dimethyl isosorbide 640.37
    tetrachloroethylene 664.41
    eugenol 259.95
    triacetin 632.31
    span 80 264.8
    1,4-butanediol 12.01
    1,1-dichloroethane 633.8
    2-methyl-1-pentanol 148.49
    methyl formate 36.86
    2-methyl-1-butanol 130.45
    n-decane 104.72
    butyronitrile 122.31
    3,7-dimethyl-1-octanol 217.37
    1-chlorooctane 331.31
    1-chlorotetradecane 97.32
    n-nonane 107.39
    undecane 56.16
    tert-butylcyclohexane 157.74
    cyclooctane 209.66
    cyclopentanol 169.73
    tetrahydropyran 772.15
    tert-amyl methyl ether 486.42
    2,5,8-trioxanonane 406.85
    1-hexene 251.21
    2-isopropoxyethanol 134.25
    2,2,2-trifluoroethanol 38.13
    methyl butyrate 562.81

    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