Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67923-82-4

    Molecular formula
    C36H72O2

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

  • Odor profile

    Fragrance
    Fruity 61.92%
    Floral 61.52%
    Green 55.61%
    Waxy 52.06%
    Fresh 50.73%
    Woody 48.32%
    Rose 41.18%
    Oily 40.07%
    Citrus 36.94%
    Balsamic 35.17%

     

    Flavor
    Waxy 38.22%
    Mild 31.86%
    Oily 27.01%
    Bland 26.75%
    Delicate 24.82%
    Floral 24.78%
    Flower 23.41%
    Slightly waxy 22.29%
    Faint 22.22%
    Leathery 22.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.4

    pKa est.
    8.69 (weak base)

    Molecular weight
    537.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point

    • 205.46 ˚C est.

  • Synonyms

    • Citronellal diisotridecyl acetal
    • 67923-82-4
    • DTXSID90867407
    • Isotridecane, 1,1'-[(3,7-dimethyl-6-octenylidene)bis(oxy)]bis-
    • Isotridecane, 1,1'-((3,7-dimethyl-6-octenylidene)bis(oxy))bis-
    • Isotridecane, 1,1'-((3,7-dimethyl-6-octen-1-ylidene)bis(oxy))bis-
    • Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-
    • Citronellal diisotridecylacetal
    • EINECS 267-786-7
    • SCHEMBL5164918
    • DTXCID00815595
    • IOROHSYUWTZOFC-UHFFFAOYSA-N
    • 1,1'-((3,7-Dimethyl-6-octenylidene)bis(oxy))bisisotridecane

  • Applications

    Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-, CAS 67923-82-4, is used primarily as a non-polar solvent and processing aid in coatings, inks, and adhesives; it can act as a plasticizer or softening agent for various polymers and elastomers; in cosmetics and personal care, it may serve as an emollient or solvent for lipophilic active ingredients; in perfumery, it can function as a fragrance fixative or carrier owing to its high molecular weight and low volatility; in industrial cleaning formulations, it serves as a diluent or co-solvent; and in specialty formulation systems, it may be evaluated as a solvent or processing additive where lipophilic components are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.17
    methanol 21.6
    isopropanol 55.2
    water 0.1
    ethyl acetate 631.12
    n-propanol 88.02
    acetone 259.2
    n-butanol 130.75
    acetonitrile 64.92
    DMF 153.96
    toluene 376.42
    isobutanol 114.74
    1,4-dioxane 492.49
    methyl acetate 279.58
    THF 985.48
    2-butanone 446.77
    n-pentanol 134.19
    sec-butanol 146.25
    n-hexane 241.9
    ethylene glycol 1.98
    NMP 679.72
    cyclohexane 718.15
    DMSO 199.17
    n-butyl acetate 792.24
    n-octanol 263.57
    chloroform 1418.38
    n-propyl acetate 695.83
    acetic acid 115.1
    dichloromethane 1277.07
    cyclohexanone 1323.28
    propylene glycol 8.59
    isopropyl acetate 689.88
    DMAc 519.65
    2-ethoxyethanol 156.31
    isopentanol 191.14
    n-heptane 323.88
    ethyl formate 169.26
    1,2-dichloroethane 741.7
    n-hexanol 147.88
    2-methoxyethanol 103.0
    isobutyl acetate 558.6
    tetrachloromethane 463.73
    n-pentyl acetate 1269.2
    transcutol 1082.38
    n-heptanol 240.62
    ethylbenzene 333.7
    MIBK 562.03
    2-propoxyethanol 217.4
    tert-butanol 126.98
    MTBE 512.34
    2-butoxyethanol 381.85
    propionic acid 127.56
    o-xylene 363.29
    formic acid 12.8
    diethyl ether 454.96
    m-xylene 301.99
    p-xylene 472.47
    chlorobenzene 459.61
    dimethyl carbonate 109.06
    n-octane 154.0
    formamide 21.97
    cyclopentanone 933.91
    2-pentanone 548.75
    anisole 387.98
    cyclopentyl methyl ether 1051.76
    gamma-butyrolactone 747.52
    1-methoxy-2-propanol 155.54
    pyridine 438.09
    3-pentanone 582.77
    furfural 411.02
    n-dodecane 58.53
    diethylene glycol 47.6
    diisopropyl ether 376.41
    tert-amyl alcohol 258.49
    acetylacetone 606.81
    n-hexadecane 73.65
    acetophenone 484.2
    methyl propionate 385.94
    isopentyl acetate 848.53
    trichloroethylene 1257.47
    n-nonanol 290.77
    cyclohexanol 416.78
    benzyl alcohol 164.3
    2-ethylhexanol 290.22
    isooctanol 310.46
    dipropyl ether 787.56
    1,2-dichlorobenzene 549.9
    ethyl lactate 166.55
    propylene carbonate 527.63
    n-methylformamide 57.6
    2-pentanol 171.35
    n-pentane 145.01
    1-propoxy-2-propanol 340.27
    1-methoxy-2-propyl acetate 591.97
    2-(2-methoxypropoxy) propanol 339.19
    mesitylene 279.13
    ε-caprolactone 1267.05
    p-cymene 326.5
    epichlorohydrin 806.38
    1,1,1-trichloroethane 1318.23
    2-aminoethanol 12.14
    morpholine-4-carbaldehyde 444.08
    sulfolane 995.63
    2,2,4-trimethylpentane 173.51
    2-methyltetrahydrofuran 1153.93
    n-hexyl acetate 1096.17
    isooctane 93.97
    2-(2-butoxyethoxy)ethanol 419.04
    sec-butyl acetate 737.21
    tert-butyl acetate 961.95
    decalin 306.7
    glycerin 14.43
    diglyme 1139.2
    acrylic acid 68.24
    isopropyl myristate 417.84
    n-butyric acid 401.93
    acetyl acetate 421.72
    di(2-ethylhexyl) phthalate 233.06
    ethyl propionate 678.95
    nitromethane 208.79
    1,2-diethoxyethane 872.88
    benzonitrile 219.87
    trioctyl phosphate 195.51
    1-bromopropane 712.93
    gamma-valerolactone 1015.71
    n-decanol 179.04
    triethyl phosphate 447.08
    4-methyl-2-pentanol 161.02
    propionitrile 118.72
    vinylene carbonate 373.6
    1,1,2-trichlorotrifluoroethane 417.51
    DMS 365.46
    cumene 266.33
    2-octanol 262.93
    2-hexanone 606.26
    octyl acetate 452.2
    limonene 616.37
    1,2-dimethoxyethane 487.34
    ethyl orthosilicate 517.94
    tributyl phosphate 255.21
    diacetone alcohol 465.35
    N,N-dimethylaniline 334.98
    acrylonitrile 82.4
    aniline 195.09
    1,3-propanediol 39.21
    bromobenzene 643.85
    dibromomethane 992.57
    1,1,2,2-tetrachloroethane 1264.85
    2-methyl-cyclohexyl acetate 788.68
    tetrabutyl urea 359.89
    diisobutyl methanol 284.85
    2-phenylethanol 182.99
    styrene 321.16
    dioctyl adipate 528.92
    dimethyl sulfate 210.75
    ethyl butyrate 939.06
    methyl lactate 95.33
    butyl lactate 511.24
    diethyl carbonate 459.72
    propanediol butyl ether 200.97
    triethyl orthoformate 839.22
    p-tert-butyltoluene 299.88
    methyl 4-tert-butylbenzoate 628.03
    morpholine 514.17
    tert-butylamine 126.49
    n-dodecanol 122.99
    dimethoxymethane 221.11
    ethylene carbonate 412.82
    cyrene 308.48
    2-ethoxyethyl acetate 965.68
    2-ethylhexyl acetate 894.72
    1,2,4-trichlorobenzene 606.73
    4-methylpyridine 527.76
    dibutyl ether 972.09
    2,6-dimethyl-4-heptanol 284.85
    DEF 586.9
    dimethyl isosorbide 765.27
    tetrachloroethylene 817.41
    eugenol 346.98
    triacetin 860.59
    span 80 362.27
    1,4-butanediol 20.66
    1,1-dichloroethane 778.45
    2-methyl-1-pentanol 218.58
    methyl formate 52.87
    2-methyl-1-butanol 202.01
    n-decane 168.29
    butyronitrile 182.52
    3,7-dimethyl-1-octanol 318.93
    1-chlorooctane 497.81
    1-chlorotetradecane 141.41
    n-nonane 175.24
    undecane 90.11
    tert-butylcyclohexane 227.86
    cyclooctane 312.74
    cyclopentanol 270.27
    tetrahydropyran 1122.09
    tert-amyl methyl ether 634.74
    2,5,8-trioxanonane 542.91
    1-hexene 355.93
    2-isopropoxyethanol 195.89
    2,2,2-trifluoroethanol 59.08
    methyl butyrate 772.01

    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