2-Octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-

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  • Identifiers

    CAS number
    67923-85-7

    Molecular formula
    C36H74O3

    SMILES
    CC(C)CCCCCCCCCCOC(CC(C)CCCC(C)(C)O)OCCCCCCCCCCC(C)C

  • Odor profile

    Fragrance
    Floral 68.38%
    Woody 55.58%
    Fresh 53.45%
    Green 52.28%
    Fruity 52.05%
    Waxy 49.84%
    Sweet 44.48%
    Rose 42.61%
    Lily 41.04%
    Oily 37.67%

     

    Flavor
    Waxy 41.84%
    Mild 37.41%
    Oily 31.94%
    Floral 28.3%
    Bland 26.08%
    Flower 24.84%
    Delicate 24.22%
    Leathery 22.75%
    Slightly waxy 22.3%
    Fresh 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.1

    pKa est.
    8.37 (weak base)

    Molecular weight
    555.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    580°C

    Flash point

    • 216.87 ˚C est.

  • Synonyms

    • 67923-85-7
    • 2-Octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-
    • Hydroxycitronellal diisotridecyl acetal
    • 2,6-dimethyl-8,8-bis[(11-methyldodecyl)oxy]octan-2-ol
    • 8,8-Bis(isotridecyloxy)-2,6-dimethyloctan-2-ol
    • EINECS 267-789-3
    • DTXSID60987303
    • JQDHIJAKFLEAIM-UHFFFAOYSA-N
    • NS00122623

  • Applications

    2-Octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl- (CAS 67923-85-7) is a bulky di-alkyl ether bearing two isotridecyloxy groups, with high lipophilicity, and is typically used as a nonionic surfactant and specialty solvent. In coatings, inks and adhesives it functions as a wetting agent, emulsifier and dispersant for hydrophobic components. In industrial manufacturing it can serve as a processing aid and solvent for complex formulations. It may act as a plasticizer or processing additive in polymers and elastomers to improve flexibility and compatibility. In cosmetics and perfumery it may be used as a fragrance solvent or a fixative component. In household cleaners and consumer products it can act as an emulsifier or solvent to stabilize formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.09
    methanol 42.12
    isopropanol 46.17
    water 0.13
    ethyl acetate 303.75
    n-propanol 77.18
    acetone 160.87
    n-butanol 88.25
    acetonitrile 32.04
    DMF 130.85
    toluene 157.88
    isobutanol 82.07
    1,4-dioxane 289.56
    methyl acetate 147.54
    THF 825.85
    2-butanone 256.24
    n-pentanol 95.66
    sec-butanol 98.45
    n-hexane 76.43
    ethylene glycol 2.83
    NMP 509.13
    cyclohexane 213.05
    DMSO 190.39
    n-butyl acetate 426.05
    n-octanol 180.69
    chloroform 763.14
    n-propyl acetate 381.8
    acetic acid 96.47
    dichloromethane 654.63
    cyclohexanone 736.73
    propylene glycol 10.75
    isopropyl acetate 367.59
    DMAc 378.07
    2-ethoxyethanol 144.11
    isopentanol 119.28
    n-heptane 106.26
    ethyl formate 112.72
    1,2-dichloroethane 376.03
    n-hexanol 101.51
    2-methoxyethanol 114.08
    isobutyl acetate 351.62
    tetrachloromethane 195.82
    n-pentyl acetate 720.38
    transcutol 901.15
    n-heptanol 162.63
    ethylbenzene 141.59
    MIBK 321.2
    2-propoxyethanol 191.86
    tert-butanol 94.18
    MTBE 257.85
    2-butoxyethanol 316.9
    propionic acid 95.69
    o-xylene 142.01
    formic acid 16.98
    diethyl ether 212.33
    m-xylene 124.94
    p-xylene 209.32
    chlorobenzene 227.15
    dimethyl carbonate 68.78
    n-octane 54.83
    formamide 23.32
    cyclopentanone 620.84
    2-pentanone 293.31
    anisole 206.41
    cyclopentyl methyl ether 607.28
    gamma-butyrolactone 552.27
    1-methoxy-2-propanol 144.62
    pyridine 263.75
    3-pentanone 284.31
    furfural 302.35
    n-dodecane 24.7
    diethylene glycol 50.25
    diisopropyl ether 159.84
    tert-amyl alcohol 171.04
    acetylacetone 352.52
    n-hexadecane 30.16
    acetophenone 280.93
    methyl propionate 211.74
    isopentyl acetate 487.0
    trichloroethylene 641.47
    n-nonanol 197.39
    cyclohexanol 255.61
    benzyl alcohol 109.54
    2-ethylhexanol 167.73
    isooctanol 206.28
    dipropyl ether 393.05
    1,2-dichlorobenzene 255.7
    ethyl lactate 124.29
    propylene carbonate 360.48
    n-methylformamide 53.01
    2-pentanol 101.11
    n-pentane 44.85
    1-propoxy-2-propanol 270.64
    1-methoxy-2-propyl acetate 412.25
    2-(2-methoxypropoxy) propanol 277.58
    mesitylene 112.78
    ε-caprolactone 759.73
    p-cymene 157.2
    epichlorohydrin 529.36
    1,1,1-trichloroethane 545.87
    2-aminoethanol 15.76
    morpholine-4-carbaldehyde 352.48
    sulfolane 761.64
    2,2,4-trimethylpentane 65.9
    2-methyltetrahydrofuran 676.33
    n-hexyl acetate 653.56
    isooctane 36.81
    2-(2-butoxyethoxy)ethanol 373.9
    sec-butyl acetate 396.67
    tert-butyl acetate 548.9
    decalin 113.1
    glycerin 18.86
    diglyme 838.66
    acrylic acid 52.42
    isopropyl myristate 248.26
    n-butyric acid 269.95
    acetyl acetate 201.48
    di(2-ethylhexyl) phthalate 160.36
    ethyl propionate 347.71
    nitromethane 153.17
    1,2-diethoxyethane 524.33
    benzonitrile 126.38
    trioctyl phosphate 134.0
    1-bromopropane 316.68
    gamma-valerolactone 760.9
    n-decanol 122.13
    triethyl phosphate 255.7
    4-methyl-2-pentanol 103.71
    propionitrile 61.66
    vinylene carbonate 259.99
    1,1,2-trichlorotrifluoroethane 315.29
    DMS 214.07
    cumene 122.72
    2-octanol 175.08
    2-hexanone 357.95
    octyl acetate 280.77
    limonene 280.26
    1,2-dimethoxyethane 368.3
    ethyl orthosilicate 291.39
    tributyl phosphate 164.67
    diacetone alcohol 336.67
    N,N-dimethylaniline 184.74
    acrylonitrile 46.71
    aniline 103.65
    1,3-propanediol 42.47
    bromobenzene 283.95
    dibromomethane 482.85
    1,1,2,2-tetrachloroethane 665.18
    2-methyl-cyclohexyl acetate 471.02
    tetrabutyl urea 237.83
    diisobutyl methanol 154.7
    2-phenylethanol 120.5
    styrene 135.96
    dioctyl adipate 333.77
    dimethyl sulfate 146.99
    ethyl butyrate 493.76
    methyl lactate 82.13
    butyl lactate 379.57
    diethyl carbonate 236.27
    propanediol butyl ether 210.17
    triethyl orthoformate 467.8
    p-tert-butyltoluene 152.99
    methyl 4-tert-butylbenzoate 418.42
    morpholine 358.14
    tert-butylamine 79.0
    n-dodecanol 80.88
    dimethoxymethane 169.85
    ethylene carbonate 271.18
    cyrene 247.32
    2-ethoxyethyl acetate 591.32
    2-ethylhexyl acetate 469.67
    1,2,4-trichlorobenzene 311.39
    4-methylpyridine 284.79
    dibutyl ether 493.37
    2,6-dimethyl-4-heptanol 154.7
    DEF 323.33
    dimethyl isosorbide 586.14
    tetrachloroethylene 436.4
    eugenol 249.95
    triacetin 568.2
    span 80 295.23
    1,4-butanediol 20.38
    1,1-dichloroethane 353.12
    2-methyl-1-pentanol 139.08
    methyl formate 45.3
    2-methyl-1-butanol 123.0
    n-decane 68.95
    butyronitrile 92.05
    3,7-dimethyl-1-octanol 198.34
    1-chlorooctane 248.14
    1-chlorotetradecane 70.92
    n-nonane 68.32
    undecane 37.64
    tert-butylcyclohexane 92.37
    cyclooctane 87.24
    cyclopentanol 197.09
    tetrahydropyran 627.82
    tert-amyl methyl ether 316.03
    2,5,8-trioxanonane 421.28
    1-hexene 142.27
    2-isopropoxyethanol 159.36
    2,2,2-trifluoroethanol 43.35
    methyl butyrate 418.67

    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