(7S,9R)-Dotriacontane-7,9-diol

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  • Identifiers

    CAS number
    193419-73-7

    Molecular formula
    C32H66O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@H](CCCCCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.89%
    Fatty 59.24%
    Oily 54.37%
    Fruity 30.28%
    Odorless 29.35%
    Woody 22.56%
    Fresh 21.51%
    Floral 21.38%
    Clean 20.96%
    Creamy 20.73%

     

    Flavor
    Waxy 43.24%
    Mild 33.76%
    Bland 32.52%
    Fatty 31.13%
    Faint 26.1%
    Fat 24.93%
    Slightly waxy 23.83%
    Delicate 23.22%
    Odorless 22.76%
    Bay oil 21.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.3

    pKa est.
    8.83 (weak base)

    Molecular weight
    482.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    599°C

    Flash point

    • 248.54 ˚C est.

  • Synonyms

    • DTXSID501300230
    • (7S,9R)-Dotriacontane-7,9-diol
    • rel-(7R,9S)-7,9-Dotriacontanediol
    • 193419-73-7
    • 193419-73-7

  • Applications

    (7S,9R)-Dotriacontane-7,9-diol (CAS 193419-73-7) is a long-chain diol with several potential applications across industries. It can serve as a diol monomer or chain extender in polyurethane and polyester resins for industrial coatings and plastics; as a crosslinking or plasticizing component in high-performance coatings and ink formulations; as an emollient or conditioning ingredient in cosmetics and personal care products due to its long-chain, lipid-like structure; as a lubricant or lubricant additive to improve lubricity and performance at low temperatures in industrial lubricants and greases; and as an intermediate in the synthesis of specialty chemicals, potentially including pharmaceutical intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.3
    methanol 9.75
    isopropanol 9.34
    water 0.1
    ethyl acetate 91.74
    n-propanol 14.35
    acetone 52.68
    n-butanol 17.06
    acetonitrile 10.72
    DMF 93.03
    toluene 33.08
    isobutanol 16.77
    1,4-dioxane 104.49
    methyl acetate 55.79
    THF 355.33
    2-butanone 80.41
    n-pentanol 15.52
    sec-butanol 18.98
    n-hexane 15.97
    ethylene glycol 1.24
    NMP 417.11
    cyclohexane 86.8
    DMSO 159.63
    n-butyl acetate 143.91
    n-octanol 45.66
    chloroform 265.13
    n-propyl acetate 127.37
    acetic acid 34.74
    dichloromethane 240.83
    cyclohexanone 327.19
    propylene glycol 4.11
    isopropyl acetate 113.81
    DMAc 248.49
    2-ethoxyethanol 40.11
    isopentanol 26.14
    n-heptane 29.34
    ethyl formate 38.88
    1,2-dichloroethane 159.36
    n-hexanol 19.6
    2-methoxyethanol 38.86
    isobutyl acetate 101.76
    tetrachloromethane 97.55
    n-pentyl acetate 267.47
    transcutol 323.74
    n-heptanol 39.24
    ethylbenzene 32.37
    MIBK 106.55
    2-propoxyethanol 54.57
    tert-butanol 28.73
    MTBE 71.0
    2-butoxyethanol 103.64
    propionic acid 36.71
    o-xylene 42.61
    formic acid 7.62
    diethyl ether 44.01
    m-xylene 32.51
    p-xylene 50.26
    chlorobenzene 70.02
    dimethyl carbonate 38.86
    n-octane 14.19
    formamide 13.68
    cyclopentanone 343.3
    2-pentanone 91.07
    anisole 64.55
    cyclopentyl methyl ether 213.33
    gamma-butyrolactone 322.08
    1-methoxy-2-propanol 53.12
    pyridine 95.48
    3-pentanone 97.9
    furfural 181.21
    n-dodecane 6.01
    diethylene glycol 18.98
    diisopropyl ether 41.01
    tert-amyl alcohol 45.79
    acetylacetone 152.13
    n-hexadecane 7.53
    acetophenone 110.83
    methyl propionate 79.5
    isopentyl acetate 171.88
    trichloroethylene 286.07
    n-nonanol 50.63
    cyclohexanol 69.88
    benzyl alcohol 31.24
    2-ethylhexanol 41.6
    isooctanol 52.5
    dipropyl ether 126.56
    1,2-dichlorobenzene 104.48
    ethyl lactate 56.92
    propylene carbonate 221.99
    n-methylformamide 27.78
    2-pentanol 19.5
    n-pentane 10.0
    1-propoxy-2-propanol 91.64
    1-methoxy-2-propyl acetate 168.88
    2-(2-methoxypropoxy) propanol 108.37
    mesitylene 33.36
    ε-caprolactone 332.34
    p-cymene 46.99
    epichlorohydrin 252.86
    1,1,1-trichloroethane 239.54
    2-aminoethanol 5.25
    morpholine-4-carbaldehyde 207.74
    sulfolane 728.1
    2,2,4-trimethylpentane 16.92
    2-methyltetrahydrofuran 242.35
    n-hexyl acetate 221.77
    isooctane 8.49
    2-(2-butoxyethoxy)ethanol 129.49
    sec-butyl acetate 120.37
    tert-butyl acetate 203.02
    decalin 30.75
    glycerin 9.71
    diglyme 346.3
    acrylic acid 25.76
    isopropyl myristate 81.35
    n-butyric acid 86.91
    acetyl acetate 82.26
    di(2-ethylhexyl) phthalate 57.92
    ethyl propionate 122.35
    nitromethane 78.94
    1,2-diethoxyethane 166.68
    benzonitrile 43.62
    trioctyl phosphate 49.1
    1-bromopropane 89.5
    gamma-valerolactone 403.87
    n-decanol 30.66
    triethyl phosphate 127.15
    4-methyl-2-pentanol 22.99
    propionitrile 17.9
    vinylene carbonate 148.3
    1,1,2-trichlorotrifluoroethane 200.88
    DMS 103.35
    cumene 30.89
    2-octanol 43.83
    2-hexanone 100.2
    octyl acetate 91.14
    limonene 91.13
    1,2-dimethoxyethane 143.87
    ethyl orthosilicate 129.17
    tributyl phosphate 69.12
    diacetone alcohol 148.2
    N,N-dimethylaniline 63.2
    acrylonitrile 17.87
    aniline 32.95
    1,3-propanediol 12.27
    bromobenzene 89.26
    dibromomethane 160.77
    1,1,2,2-tetrachloroethane 320.1
    2-methyl-cyclohexyl acetate 182.82
    tetrabutyl urea 107.43
    diisobutyl methanol 47.18
    2-phenylethanol 35.02
    styrene 32.9
    dioctyl adipate 140.25
    dimethyl sulfate 126.93
    ethyl butyrate 186.48
    methyl lactate 42.63
    butyl lactate 160.65
    diethyl carbonate 100.9
    propanediol butyl ether 72.41
    triethyl orthoformate 190.21
    p-tert-butyltoluene 45.51
    methyl 4-tert-butylbenzoate 193.08
    morpholine 132.61
    tert-butylamine 23.25
    n-dodecanol 20.64
    dimethoxymethane 69.5
    ethylene carbonate 144.08
    cyrene 122.76
    2-ethoxyethyl acetate 238.43
    2-ethylhexyl acetate 161.06
    1,2,4-trichlorobenzene 137.75
    4-methylpyridine 87.61
    dibutyl ether 142.11
    2,6-dimethyl-4-heptanol 47.18
    DEF 142.63
    dimethyl isosorbide 314.72
    tetrachloroethylene 206.74
    eugenol 118.19
    triacetin 251.08
    span 80 107.87
    1,4-butanediol 5.55
    1,1-dichloroethane 116.74
    2-methyl-1-pentanol 25.16
    methyl formate 26.06
    2-methyl-1-butanol 26.37
    n-decane 16.73
    butyronitrile 24.43
    3,7-dimethyl-1-octanol 55.73
    1-chlorooctane 67.21
    1-chlorotetradecane 18.83
    n-nonane 16.7
    undecane 9.24
    tert-butylcyclohexane 22.29
    cyclooctane 27.66
    cyclopentanol 69.73
    tetrahydropyran 184.66
    tert-amyl methyl ether 92.04
    2,5,8-trioxanonane 188.36
    1-hexene 26.86
    2-isopropoxyethanol 42.44
    2,2,2-trifluoroethanol 27.95
    methyl butyrate 166.29

    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