Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-

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  • Identifiers

    CAS number
    67923-79-9

    Molecular formula
    C34H70O2

    SMILES
    CCCCCCC(C)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C

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  • Odor profile

    Fragrance
    Fruity 59.3%
    Waxy 53.79%
    Floral 48.84%
    Oily 47.12%
    Woody 47.11%
    Fresh 46.97%
    Green 41.76%
    Fatty 36.47%
    Sweet 35.04%
    Citrus 33.46%

     

    Flavor
    Waxy 48.78%
    Mild 35.8%
    Oily 35.61%
    Fatty 27.84%
    Floral 27.07%
    Bland 26.38%
    Fat 26.35%
    Flower 25.06%
    Delicate 24.95%
    Slightly waxy 23.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.8

    pKa est.
    8.12 (weak base)

    Molecular weight
    510.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Flash point

    • 214.99 ˚C est.

  • Synonyms

    • Isooctanal diisotridecylacetal
    • Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-
    • EINECS 267-785-1
    • DTXSID1070856
    • Isotridecane, 1,1'-((methylheptylidene)bis(oxy))bis-
    • RefChem:792378
    • DTXCID7045285
    • 67923-79-9
    • 1,1'-[(Methylheptylidene)bis(oxy)]bisisotridecane
    • 1,1'-((Methylheptylidene)bis(oxy))bisisotridecane
    • SCHEMBL28158545
    • VZIHSPBCPJODIV-UHFFFAOYSA-N
    • 11-METHYL-1-({2-[(11-METHYLDODECYL)OXY]OCTAN-2-YL}OXY)DODECANE
    • 67923-79-9

  • Applications

    Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-, CAS 67923-79-9 is a high-boiling solvent and processing aid used in industrial coatings and inks; it also functions as a solvent and processing aid in adhesive formulations and sealants; serves as an intermediate in organic synthesis; can act as a plasticizer or stabilizing additive in polymer formulations; and is employed as a cleaning and degreasing solvent in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.36
    methanol 93.37
    isopropanol 223.78
    water 0.28
    ethyl acetate 2499.07
    n-propanol 311.82
    acetone 959.93
    n-butanol 444.9
    acetonitrile 259.88
    DMF 820.1
    toluene 1216.65
    isobutanol 409.12
    1,4-dioxane 1682.32
    methyl acetate 1132.85
    THF 3269.85
    2-butanone 1579.38
    n-pentanol 387.19
    sec-butanol 531.67
    n-hexane 741.04
    ethylene glycol 9.94
    NMP 2948.06
    cyclohexane 2564.68
    DMSO 818.96
    n-butyl acetate 2956.21
    n-octanol 751.2
    chloroform 4546.82
    n-propyl acetate 2452.71
    acetic acid 418.27
    dichloromethane 4369.1
    cyclohexanone 4764.06
    propylene glycol 35.02
    isopropyl acetate 2799.68
    DMAc 2302.83
    2-ethoxyethanol 501.98
    isopentanol 641.83
    n-heptane 996.05
    ethyl formate 655.76
    1,2-dichloroethane 2902.73
    n-hexanol 457.9
    2-methoxyethanol 406.89
    isobutyl acetate 2017.89
    tetrachloromethane 1724.43
    n-pentyl acetate 4085.16
    transcutol 2951.36
    n-heptanol 642.75
    ethylbenzene 944.24
    MIBK 2001.61
    2-propoxyethanol 688.07
    tert-butanol 472.79
    MTBE 1843.2
    2-butoxyethanol 1077.41
    propionic acid 507.14
    o-xylene 1224.32
    formic acid 55.85
    diethyl ether 1603.48
    m-xylene 989.01
    p-xylene 1407.48
    chlorobenzene 1542.47
    dimethyl carbonate 486.62
    n-octane 472.57
    formamide 99.14
    cyclopentanone 3415.9
    2-pentanone 1995.9
    anisole 1211.36
    cyclopentyl methyl ether 3867.26
    gamma-butyrolactone 2977.04
    1-methoxy-2-propanol 599.49
    pyridine 1471.82
    3-pentanone 2101.55
    furfural 1427.65
    n-dodecane 185.01
    diethylene glycol 167.44
    diisopropyl ether 1420.73
    tert-amyl alcohol 927.07
    acetylacetone 2291.15
    n-hexadecane 231.57
    acetophenone 1593.92
    methyl propionate 1587.98
    isopentyl acetate 3218.28
    trichloroethylene 4440.03
    n-nonanol 822.22
    cyclohexanol 1486.48
    benzyl alcohol 480.84
    2-ethylhexanol 893.49
    isooctanol 869.86
    dipropyl ether 2465.43
    1,2-dichlorobenzene 1919.18
    ethyl lactate 610.07
    propylene carbonate 2153.59
    n-methylformamide 295.59
    2-pentanol 603.43
    n-pentane 483.6
    1-propoxy-2-propanol 1082.99
    1-methoxy-2-propyl acetate 2356.68
    2-(2-methoxypropoxy) propanol 971.52
    mesitylene 897.99
    ε-caprolactone 4516.12
    p-cymene 965.44
    epichlorohydrin 2913.58
    1,1,1-trichloroethane 4844.16
    2-aminoethanol 49.01
    morpholine-4-carbaldehyde 1839.75
    sulfolane 3929.91
    2,2,4-trimethylpentane 577.67
    2-methyltetrahydrofuran 3963.67
    n-hexyl acetate 3697.44
    isooctane 311.97
    2-(2-butoxyethoxy)ethanol 1180.45
    sec-butyl acetate 2634.78
    tert-butyl acetate 3643.06
    decalin 987.48
    glycerin 59.66
    diglyme 3390.3
    acrylic acid 267.99
    isopropyl myristate 1471.78
    n-butyric acid 1476.58
    acetyl acetate 1781.88
    di(2-ethylhexyl) phthalate 675.22
    ethyl propionate 2478.04
    nitromethane 873.43
    1,2-diethoxyethane 2795.5
    benzonitrile 737.6
    trioctyl phosphate 653.71
    1-bromopropane 2462.31
    gamma-valerolactone 3566.48
    n-decanol 529.81
    triethyl phosphate 1592.0
    4-methyl-2-pentanol 541.31
    propionitrile 446.55
    vinylene carbonate 1467.57
    1,1,2-trichlorotrifluoroethane 1512.87
    DMS 1535.17
    cumene 766.16
    2-octanol 784.81
    2-hexanone 1941.62
    octyl acetate 1562.98
    limonene 1970.71
    1,2-dimethoxyethane 1699.89
    ethyl orthosilicate 1728.01
    tributyl phosphate 919.56
    diacetone alcohol 1648.54
    N,N-dimethylaniline 1039.39
    acrylonitrile 324.96
    aniline 691.21
    1,3-propanediol 153.34
    bromobenzene 2181.58
    dibromomethane 3206.78
    1,1,2,2-tetrachloroethane 4500.01
    2-methyl-cyclohexyl acetate 2636.8
    tetrabutyl urea 1306.66
    diisobutyl methanol 818.44
    2-phenylethanol 503.55
    styrene 957.92
    dioctyl adipate 1797.04
    dimethyl sulfate 985.23
    ethyl butyrate 3236.97
    methyl lactate 396.08
    butyl lactate 1630.81
    diethyl carbonate 1657.34
    propanediol butyl ether 599.68
    triethyl orthoformate 2776.49
    p-tert-butyltoluene 901.15
    methyl 4-tert-butylbenzoate 2061.51
    morpholine 1916.83
    tert-butylamine 465.87
    n-dodecanol 381.0
    dimethoxymethane 938.86
    ethylene carbonate 1730.58
    cyrene 834.46
    2-ethoxyethyl acetate 3187.7
    2-ethylhexyl acetate 3305.56
    1,2,4-trichlorobenzene 2176.64
    4-methylpyridine 1803.55
    dibutyl ether 3095.01
    2,6-dimethyl-4-heptanol 818.44
    DEF 2563.53
    dimethyl isosorbide 2230.25
    tetrachloroethylene 3068.3
    eugenol 983.41
    triacetin 2969.04
    span 80 1016.08
    1,4-butanediol 69.76
    1,1-dichloroethane 2803.65
    2-methyl-1-pentanol 610.89
    methyl formate 247.56
    2-methyl-1-butanol 668.28
    n-decane 501.02
    butyronitrile 682.42
    3,7-dimethyl-1-octanol 1006.72
    1-chlorooctane 1554.82
    1-chlorotetradecane 459.74
    n-nonane 523.94
    undecane 278.01
    tert-butylcyclohexane 745.97
    cyclooctane 1061.41
    cyclopentanol 1079.01
    tetrahydropyran 3705.64
    tert-amyl methyl ether 2264.94
    2,5,8-trioxanonane 1540.16
    1-hexene 1036.19
    2-isopropoxyethanol 613.29
    2,2,2-trifluoroethanol 243.31
    methyl butyrate 2972.28

    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