1,11-Triacontanediol

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  • Identifiers

    CAS number
    180005-30-5

    Molecular formula
    C30H62O2

    SMILES
    CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.52%
    Fatty 55.46%
    Oily 51.58%
    Odorless 30.38%
    Fruity 29.89%
    Clean 25.03%
    Floral 24.21%
    Woody 24.03%
    Fresh 23.21%
    Sweet 22.84%

     

    Flavor
    Waxy 54.88%
    Fatty 37.87%
    Mild 36.24%
    Fat 29.22%
    Bland 29.09%
    Wax 26.2%
    Flower 26.07%
    Oily 25.61%
    Faint 25.29%
    Slightly waxy 24.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.0

    pKa est.
    8.71 (weak base)

    Molecular weight
    454.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    566°C

    Flash point

    • 251.52 ˚C est.

  • Synonyms

    • 1,11-Triacontanediol
    • 180005-30-5
    • RefChem:71187
    • triacontane-1,11-diol
    • SCHEMBL26624713
    • DTXSID401315383
    • LMFA05000575
    • 180005-30-5

  • Applications

    1,11-Triacontanediol (CAS number: 180005-30-5) is a long-chain diol (C30) used primarily as a polyol in the production of polyurethanes and polyesters, serving as a soft-segment component, a chain extender, or a plasticizer in polymer systems. It is also used as a plasticizer and processing aid for polymers, coatings, and adhesives. In cosmetics and personal care, 1,11-Triacontanediol (CAS number: 180005-30-5) can function as an emollient and conditioning agent, improving slip and feel in skin and hair formulations. In industrial lubricants and base oil applications, it can be used as a base oil or lubricant additive, contributing to lubricity and high-temperature stability. It may serve as a precursor for the synthesis of specialty esters and chemicals used in coatings, cosmetics, and other industrial applications, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.47
    methanol 1.93
    isopropanol 1.45
    water 0.02
    ethyl acetate 19.3
    n-propanol 2.56
    acetone 9.42
    n-butanol 3.46
    acetonitrile 2.0
    DMF 20.46
    toluene 7.79
    isobutanol 3.04
    1,4-dioxane 26.25
    methyl acetate 11.28
    THF 100.1
    2-butanone 16.7
    n-pentanol 3.88
    sec-butanol 3.49
    n-hexane 3.5
    ethylene glycol 0.25
    NMP 117.26
    cyclohexane 19.57
    DMSO 41.72
    n-butyl acetate 38.75
    n-octanol 12.94
    chloroform 78.54
    n-propyl acetate 33.42
    acetic acid 7.08
    dichloromethane 68.42
    cyclohexanone 85.25
    propylene glycol 0.84
    isopropyl acetate 27.66
    DMAc 67.12
    2-ethoxyethanol 11.14
    isopentanol 5.87
    n-heptane 8.26
    ethyl formate 8.7
    1,2-dichloroethane 40.76
    n-hexanol 4.98
    2-methoxyethanol 9.81
    isobutyl acetate 27.35
    tetrachloromethane 25.46
    n-pentyl acetate 78.53
    transcutol 133.99
    n-heptanol 10.45
    ethylbenzene 9.2
    MIBK 27.24
    2-propoxyethanol 15.52
    tert-butanol 5.64
    MTBE 17.56
    2-butoxyethanol 32.01
    propionic acid 7.27
    o-xylene 11.31
    formic acid 1.65
    diethyl ether 9.08
    m-xylene 8.56
    p-xylene 13.33
    chlorobenzene 17.44
    dimethyl carbonate 8.87
    n-octane 4.22
    formamide 2.94
    cyclopentanone 88.02
    2-pentanone 19.53
    anisole 19.77
    cyclopentyl methyl ether 56.59
    gamma-butyrolactone 86.77
    1-methoxy-2-propanol 13.43
    pyridine 23.45
    3-pentanone 22.22
    furfural 57.66
    n-dodecane 2.02
    diethylene glycol 5.4
    diisopropyl ether 10.65
    tert-amyl alcohol 10.34
    acetylacetone 38.33
    n-hexadecane 2.49
    acetophenone 33.26
    methyl propionate 17.56
    isopentyl acetate 50.24
    trichloroethylene 81.55
    n-nonanol 15.34
    cyclohexanol 14.89
    benzyl alcohol 8.51
    2-ethylhexanol 11.64
    isooctanol 14.89
    dipropyl ether 36.79
    1,2-dichlorobenzene 31.2
    ethyl lactate 16.66
    propylene carbonate 61.44
    n-methylformamide 5.69
    2-pentanol 3.97
    n-pentane 1.99
    1-propoxy-2-propanol 26.67
    1-methoxy-2-propyl acetate 51.57
    2-(2-methoxypropoxy) propanol 43.98
    mesitylene 9.56
    ε-caprolactone 90.21
    p-cymene 15.41
    epichlorohydrin 71.54
    1,1,1-trichloroethane 62.55
    2-aminoethanol 1.11
    morpholine-4-carbaldehyde 62.23
    sulfolane 219.28
    2,2,4-trimethylpentane 4.72
    2-methyltetrahydrofuran 63.0
    n-hexyl acetate 65.68
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 48.79
    sec-butyl acetate 34.39
    tert-butyl acetate 60.8
    decalin 9.28
    glycerin 2.46
    diglyme 137.09
    acrylic acid 5.38
    isopropyl myristate 26.22
    n-butyric acid 19.27
    acetyl acetate 20.3
    di(2-ethylhexyl) phthalate 19.55
    ethyl propionate 33.13
    nitromethane 17.64
    1,2-diethoxyethane 56.07
    benzonitrile 11.94
    trioctyl phosphate 15.49
    1-bromopropane 22.73
    gamma-valerolactone 119.35
    n-decanol 9.25
    triethyl phosphate 46.27
    4-methyl-2-pentanol 5.68
    propionitrile 3.78
    vinylene carbonate 39.16
    1,1,2-trichlorotrifluoroethane 63.33
    DMS 29.6
    cumene 9.6
    2-octanol 12.13
    2-hexanone 27.5
    octyl acetate 27.09
    limonene 29.21
    1,2-dimethoxyethane 45.38
    ethyl orthosilicate 48.23
    tributyl phosphate 22.6
    diacetone alcohol 44.51
    N,N-dimethylaniline 20.98
    acrylonitrile 3.85
    aniline 7.58
    1,3-propanediol 2.76
    bromobenzene 23.93
    dibromomethane 44.81
    1,1,2,2-tetrachloroethane 98.41
    2-methyl-cyclohexyl acetate 60.83
    tetrabutyl urea 36.62
    diisobutyl methanol 14.9
    2-phenylethanol 10.43
    styrene 9.04
    dioctyl adipate 48.31
    dimethyl sulfate 33.53
    ethyl butyrate 58.13
    methyl lactate 10.6
    butyl lactate 49.13
    diethyl carbonate 32.5
    propanediol butyl ether 23.74
    triethyl orthoformate 68.03
    p-tert-butyltoluene 15.41
    methyl 4-tert-butylbenzoate 71.15
    morpholine 32.62
    tert-butylamine 4.79
    n-dodecanol 6.41
    dimethoxymethane 17.09
    ethylene carbonate 35.87
    cyrene 46.42
    2-ethoxyethyl acetate 76.05
    2-ethylhexyl acetate 48.37
    1,2,4-trichlorobenzene 41.72
    4-methylpyridine 21.23
    dibutyl ether 45.82
    2,6-dimethyl-4-heptanol 14.9
    DEF 36.25
    dimethyl isosorbide 126.67
    tetrachloroethylene 59.64
    eugenol 43.8
    triacetin 86.57
    span 80 38.7
    1,4-butanediol 1.36
    1,1-dichloroethane 26.86
    2-methyl-1-pentanol 6.79
    methyl formate 5.32
    2-methyl-1-butanol 5.8
    n-decane 5.49
    butyronitrile 5.21
    3,7-dimethyl-1-octanol 17.86
    1-chlorooctane 21.3
    1-chlorotetradecane 5.98
    n-nonane 5.28
    undecane 3.05
    tert-butylcyclohexane 6.99
    cyclooctane 7.06
    cyclopentanol 13.97
    tetrahydropyran 43.61
    tert-amyl methyl ether 26.22
    2,5,8-trioxanonane 78.39
    1-hexene 6.24
    2-isopropoxyethanol 11.74
    2,2,2-trifluoroethanol 6.04
    methyl butyrate 45.79

    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