5-(1-Methylethyl)-2,8-nonanediol

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  • Identifiers

    CAS number
    55023-56-8

    Molecular formula
    C12H26O2

    SMILES
    CC(C)C(CCC(C)O)CCC(C)O

  • Odor profile

    Fragrance
    Woody 64.84%
    Floral 47.76%
    Sandalwood 35.58%
    Dry 31.96%
    Sweet 31.6%
    Amber 30.82%
    Fresh 28.39%
    Oily 27.91%
    Muguet 26.58%
    Mint 26.02%

     

    Flavor
    Green 53.05%
    Fresh 43.35%
    Floral 41.84%
    Waxy 36.42%
    Mild 34.86%
    Citrus 34.56%
    Oily 33.42%
    Tropical 29.36%
    Lily 28.61%
    Earthy 27.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.31 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 123.9 ˚C est.

  • Synonyms

    • ZY49NZT2MD
    • UNII-ZY49NZT2MD
    • 5-(1-Methylethyl)-2,8-nonanediol
    • 55023-56-8
    • 2,8-Nonanediol, 5-(1-methylethyl)-
    • 5-Isopropylnonane-2 8-diol
    • SCHEMBL11802878

  • Applications

    5-(1-Methylethyl)-2,8-nonanediol (CAS 55023-56-8) is a long-chain diol that can serve as a monomer or chain extender in polymer synthesis, notably in polyurethanes and polyesters; it may be used as a processing aid or solvent in industrial manufacturing; it can function as a crosslinking or compatibilizing component in coatings and inks; it is sometimes evaluated as a building block in adhesives formulations; and it may find use in cosmetics and personal care as a solvent or humectant in specialty formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.2
    methanol 731.65
    isopropanol 807.96
    water 1.31
    ethyl acetate 212.34
    n-propanol 598.16
    acetone 360.33
    n-butanol 557.9
    acetonitrile 151.42
    DMF 278.79
    toluene 74.48
    isobutanol 450.45
    1,4-dioxane 698.39
    methyl acetate 181.32
    THF 1352.2
    2-butanone 245.44
    n-pentanol 320.17
    sec-butanol 439.9
    n-hexane 71.58
    ethylene glycol 117.5
    NMP 281.71
    cyclohexane 116.82
    DMSO 429.36
    n-butyl acetate 288.96
    n-octanol 208.85
    chloroform 362.64
    n-propyl acetate 175.78
    acetic acid 292.72
    dichloromethane 254.54
    cyclohexanone 464.66
    propylene glycol 303.3
    isopropyl acetate 169.33
    DMAc 213.87
    2-ethoxyethanol 346.17
    isopentanol 421.8
    n-heptane 92.18
    ethyl formate 155.53
    1,2-dichloroethane 168.22
    n-hexanol 513.69
    2-methoxyethanol 607.24
    isobutyl acetate 152.79
    tetrachloromethane 91.68
    n-pentyl acetate 164.29
    transcutol 769.61
    n-heptanol 241.72
    ethylbenzene 61.15
    MIBK 152.38
    2-propoxyethanol 517.04
    tert-butanol 906.3
    MTBE 377.48
    2-butoxyethanol 329.55
    propionic acid 284.17
    o-xylene 73.3
    formic acid 88.1
    diethyl ether 269.25
    m-xylene 76.48
    p-xylene 92.15
    chlorobenzene 100.23
    dimethyl carbonate 41.66
    n-octane 30.85
    formamide 97.05
    cyclopentanone 514.13
    2-pentanone 214.98
    anisole 127.1
    cyclopentyl methyl ether 373.13
    gamma-butyrolactone 490.41
    1-methoxy-2-propanol 542.88
    pyridine 233.45
    3-pentanone 127.8
    furfural 326.36
    n-dodecane 19.08
    diethylene glycol 333.38
    diisopropyl ether 101.06
    tert-amyl alcohol 466.02
    acetylacetone 206.38
    n-hexadecane 20.98
    acetophenone 114.49
    methyl propionate 138.2
    isopentyl acetate 263.7
    trichloroethylene 263.15
    n-nonanol 181.33
    cyclohexanol 447.86
    benzyl alcohol 129.48
    2-ethylhexanol 276.24
    isooctanol 186.18
    dipropyl ether 302.3
    1,2-dichlorobenzene 96.76
    ethyl lactate 104.42
    propylene carbonate 269.77
    n-methylformamide 162.74
    2-pentanol 326.27
    n-pentane 59.19
    1-propoxy-2-propanol 450.51
    1-methoxy-2-propyl acetate 242.82
    2-(2-methoxypropoxy) propanol 229.61
    mesitylene 60.66
    ε-caprolactone 377.9
    p-cymene 74.14
    epichlorohydrin 413.58
    1,1,1-trichloroethane 185.24
    2-aminoethanol 312.9
    morpholine-4-carbaldehyde 379.92
    sulfolane 503.78
    2,2,4-trimethylpentane 35.41
    2-methyltetrahydrofuran 685.05
    n-hexyl acetate 230.87
    isooctane 32.53
    2-(2-butoxyethoxy)ethanol 357.64
    sec-butyl acetate 133.67
    tert-butyl acetate 209.25
    decalin 43.19
    glycerin 294.56
    diglyme 546.59
    acrylic acid 165.33
    isopropyl myristate 96.02
    n-butyric acid 425.43
    acetyl acetate 119.64
    di(2-ethylhexyl) phthalate 99.6
    ethyl propionate 125.6
    nitromethane 248.81
    1,2-diethoxyethane 281.85
    benzonitrile 137.49
    trioctyl phosphate 89.41
    1-bromopropane 155.37
    gamma-valerolactone 600.91
    n-decanol 130.8
    triethyl phosphate 92.75
    4-methyl-2-pentanol 191.48
    propionitrile 172.99
    vinylene carbonate 196.09
    1,1,2-trichlorotrifluoroethane 300.97
    DMS 109.89
    cumene 57.49
    2-octanol 153.32
    2-hexanone 191.45
    octyl acetate 119.94
    limonene 137.47
    1,2-dimethoxyethane 515.77
    ethyl orthosilicate 102.08
    tributyl phosphate 96.93
    diacetone alcohol 286.81
    N,N-dimethylaniline 92.55
    acrylonitrile 139.83
    aniline 142.94
    1,3-propanediol 457.92
    bromobenzene 91.57
    dibromomethane 197.49
    1,1,2,2-tetrachloroethane 278.98
    2-methyl-cyclohexyl acetate 193.14
    tetrabutyl urea 119.78
    diisobutyl methanol 155.75
    2-phenylethanol 163.85
    styrene 64.03
    dioctyl adipate 135.41
    dimethyl sulfate 70.49
    ethyl butyrate 189.53
    methyl lactate 116.25
    butyl lactate 172.09
    diethyl carbonate 109.38
    propanediol butyl ether 315.97
    triethyl orthoformate 162.4
    p-tert-butyltoluene 80.08
    methyl 4-tert-butylbenzoate 156.02
    morpholine 808.43
    tert-butylamine 563.77
    n-dodecanol 100.5
    dimethoxymethane 215.65
    ethylene carbonate 199.98
    cyrene 191.94
    2-ethoxyethyl acetate 179.18
    2-ethylhexyl acetate 204.79
    1,2,4-trichlorobenzene 121.5
    4-methylpyridine 212.87
    dibutyl ether 203.18
    2,6-dimethyl-4-heptanol 155.75
    DEF 177.47
    dimethyl isosorbide 354.06
    tetrachloroethylene 198.43
    eugenol 153.04
    triacetin 178.44
    span 80 267.84
    1,4-butanediol 167.93
    1,1-dichloroethane 202.81
    2-methyl-1-pentanol 226.97
    methyl formate 106.55
    2-methyl-1-butanol 329.79
    n-decane 36.7
    butyronitrile 249.19
    3,7-dimethyl-1-octanol 187.19
    1-chlorooctane 103.07
    1-chlorotetradecane 40.32
    n-nonane 38.89
    undecane 25.04
    tert-butylcyclohexane 47.1
    cyclooctane 38.6
    cyclopentanol 537.56
    tetrahydropyran 792.19
    tert-amyl methyl ether 223.32
    2,5,8-trioxanonane 365.34
    1-hexene 168.13
    2-isopropoxyethanol 252.12
    2,2,2-trifluoroethanol 82.14
    methyl butyrate 182.91

    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