Docosane-1,2-diol

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  • Identifiers

    CAS number
    60742-66-7

    Molecular formula
    C22H46O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCC(CO)O

  • Odor profile

    Waxy 75.93%
    Fatty 54.91%
    Oily 43.27%
    Odorless 35.42%
    Clean 19.59%
    Fishy 19.32%
    Creamy 18.47%
    Sweet 17.8%
    Soapy 16.61%
    Animal 16.57%

    Scent© AI

  • Properties

    XLogP3-AA
    9.4

    Molecular weight
    342.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    433°C

    Flash point est.
    209.41 ˚C

  • Synonyms

    • Docosane-1,2-diol
    • 1,2-docosanediol
    • 60742-66-7
    • 1,2-docasanediol
    • EINECS 262-401-9
    • 1,2-dihydroxydocosane
    • SCHEMBL1170102
    • CHEBI:84958
    • DTXSID80976214
    • DSTFRDBEOMKTOS-UHFFFAOYSA-N
    • LMFA05000081
    • DB-319256
    • NS00054744
    • Q27158221

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.95
    methanol 4.58
    isopropanol 5.29
    water 0.02
    ethyl acetate 41.32
    n-propanol 7.08
    acetone 20.02
    n-butanol 10.49
    acetonitrile 5.45
    DMF 41.44
    toluene 13.49
    isobutanol 8.79
    1,4-dioxane 54.26
    methyl acetate 22.98
    THF 219.42
    2-butanone 33.93
    n-pentanol 10.77
    sec-butanol 10.51
    n-hexane 8.04
    ethylene glycol 0.57
    NMP 169.34
    cyclohexane 45.6
    DMSO 87.57
    n-butyl acetate 92.32
    n-octanol 29.87
    chloroform 126.36
    n-propyl acetate 81.31
    acetic acid 13.2
    dichloromethane 114.61
    cyclohexanone 169.88
    propylene glycol 2.15
    isopropyl acetate 58.65
    DMAc 105.18
    2-ethoxyethanol 29.33
    isopentanol 18.69
    n-heptane 20.7
    ethyl formate 18.74
    1,2-dichloroethane 82.27
    n-hexanol 14.71
    2-methoxyethanol 25.94
    isobutyl acetate 62.05
    tetrachloromethane 46.56
    n-pentyl acetate 166.08
    transcutol 277.3
    n-heptanol 26.9
    ethylbenzene 17.35
    MIBK 64.02
    2-propoxyethanol 38.83
    tert-butanol 20.8
    MTBE 44.27
    2-butoxyethanol 72.86
    propionic acid 15.69
    o-xylene 20.74
    formic acid 2.5
    diethyl ether 25.35
    m-xylene 16.45
    p-xylene 25.93
    chlorobenzene 30.71
    dimethyl carbonate 14.21
    n-octane 9.51
    formamide 5.52
    cyclopentanone 170.59
    2-pentanone 44.24
    anisole 39.29
    cyclopentyl methyl ether 115.96
    gamma-butyrolactone 153.41
    1-methoxy-2-propanol 36.04
    pyridine 44.16
    3-pentanone 41.4
    furfural 102.17
    n-dodecane 4.21
    diethylene glycol 13.08
    diisopropyl ether 26.71
    tert-amyl alcohol 28.69
    acetylacetone 70.51
    n-hexadecane 5.22
    acetophenone 62.18
    methyl propionate 32.81
    isopentyl acetate 110.3
    trichloroethylene 144.31
    n-nonanol 32.52
    cyclohexanol 39.37
    benzyl alcohol 18.77
    2-ethylhexanol 30.08
    isooctanol 36.76
    dipropyl ether 92.09
    1,2-dichlorobenzene 54.59
    ethyl lactate 34.73
    propylene carbonate 100.36
    n-methylformamide 11.65
    2-pentanol 12.83
    n-pentane 5.18
    1-propoxy-2-propanol 68.19
    1-methoxy-2-propyl acetate 95.94
    2-(2-methoxypropoxy) propanol 74.52
    mesitylene 19.68
    ε-caprolactone 156.63
    p-cymene 30.85
    epichlorohydrin 140.25
    1,1,1-trichloroethane 115.28
    2-aminoethanol 2.7
    morpholine-4-carbaldehyde 110.54
    sulfolane 360.81
    2,2,4-trimethylpentane 9.68
    2-methyltetrahydrofuran 133.09
    n-hexyl acetate 130.38
    isooctane 6.09
    2-(2-butoxyethoxy)ethanol 96.55
    sec-butyl acetate 74.42
    tert-butyl acetate 122.44
    decalin 17.96
    glycerin 5.55
    diglyme 253.5
    acrylic acid 10.25
    isopropyl myristate 49.57
    n-butyric acid 44.63
    acetyl acetate 35.51
    di(2-ethylhexyl) phthalate 33.19
    ethyl propionate 67.9
    nitromethane 33.36
    1,2-diethoxyethane 124.91
    benzonitrile 25.83
    trioctyl phosphate 29.34
    1-bromopropane 49.07
    gamma-valerolactone 217.32
    n-decanol 20.21
    triethyl phosphate 77.4
    4-methyl-2-pentanol 16.19
    propionitrile 9.42
    vinylene carbonate 61.13
    1,1,2-trichlorotrifluoroethane 109.46
    DMS 51.61
    cumene 18.59
    2-octanol 29.84
    2-hexanone 61.55
    octyl acetate 54.34
    limonene 58.85
    1,2-dimethoxyethane 107.9
    ethyl orthosilicate 83.06
    tributyl phosphate 40.94
    diacetone alcohol 98.59
    N,N-dimethylaniline 38.75
    acrylonitrile 8.93
    aniline 15.27
    1,3-propanediol 7.5
    bromobenzene 39.79
    dibromomethane 78.29
    1,1,2,2-tetrachloroethane 174.95
    2-methyl-cyclohexyl acetate 110.21
    tetrabutyl urea 64.69
    diisobutyl methanol 38.37
    2-phenylethanol 23.17
    styrene 16.97
    dioctyl adipate 84.24
    dimethyl sulfate 48.52
    ethyl butyrate 119.16
    methyl lactate 20.27
    butyl lactate 89.91
    diethyl carbonate 61.45
    propanediol butyl ether 49.54
    triethyl orthoformate 127.29
    p-tert-butyltoluene 31.01
    methyl 4-tert-butylbenzoate 112.0
    morpholine 75.82
    tert-butylamine 16.62
    n-dodecanol 14.21
    dimethoxymethane 36.03
    ethylene carbonate 60.04
    cyrene 78.98
    2-ethoxyethyl acetate 138.71
    2-ethylhexyl acetate 100.36
    1,2,4-trichlorobenzene 67.46
    4-methylpyridine 40.55
    dibutyl ether 101.35
    2,6-dimethyl-4-heptanol 38.37
    DEF 75.53
    dimethyl isosorbide 195.31
    tetrachloroethylene 111.28
    eugenol 75.21
    triacetin 135.47
    span 80 70.28
    1,4-butanediol 3.6
    1,1-dichloroethane 55.94
    2-methyl-1-pentanol 18.3
    methyl formate 9.41
    2-methyl-1-butanol 16.05
    n-decane 11.32
    butyronitrile 14.99
    3,7-dimethyl-1-octanol 39.44
    1-chlorooctane 43.84
    1-chlorotetradecane 12.26
    n-nonane 11.39
    undecane 6.23
    tert-butylcyclohexane 14.38
    cyclooctane 14.93
    cyclopentanol 37.42
    tetrahydropyran 101.47
    tert-amyl methyl ether 53.67
    2,5,8-trioxanonane 143.19
    1-hexene 14.88
    2-isopropoxyethanol 31.74
    2,2,2-trifluoroethanol 10.18
    methyl butyrate 99.28

    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