1-Hentriacontene

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  • Identifiers

    CAS number
    18435-54-6

    Molecular formula
    C31H62

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.27%
    Fatty 46.18%
    Oily 34.37%
    Odorless 23.52%
    Fishy 19.65%
    Meaty 18.83%
    Sweet 16.85%
    Savory 15.72%
    Burnt 13.02%
    Gassy 12.73%

     

    Flavor
    Alkane 50.22%
    Waxy 45.75%
    Bland 24.84%
    Mild 21.62%
    Slightly waxy 20.94%
    Delicate 20.39%
    Faint 19.52%
    Incense 19.17%
    Citrus peel 19.07%
    Diterpene 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.1

    pKa est.
    9.39 (weak base)

    Molecular weight
    434.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    518°C

    Flash point

    • 245.29 ˚C est.

  • Synonyms

    • 1-Hentriacontene
    • hentriacont-1-ene
    • 1-Untriacontene
    • 18435-54-6
    • 9964UP2K74
    • DTXSID00171562
    • RefChem:1055494
    • DTXCID2094053
    • Hentriacontene
    • UNII-9964UP2K74
    • SCHEMBL8213115
    • SCHEMBL8618174
    • SCHEMBL27675618
    • YITPJHKSILJOFQ-UHFFFAOYSA-N
    • LMFA11000316
    • Q27272175
    • 18435-54-6

  • Applications

    1-Hentriacontene (CAS 18435-54-6) can serve as a building block for the synthesis of high-value long-chain derivatives through oxidative and functionalization routes, making it relevant in specialty chemical manufacture. Its non-polar, high-boiling nature supports use as a diluent or solvent component in coatings, inks, and industrial cleaners. In addition, it can be hydrogenated to the saturated hentriacontane, which is a candidate for wax fractions or lubricant basestocks. It may be evaluated as a processing aid or additive in high-temperature lubricants and polymer formulations, and as a feedstock for long-chain lubricants or specialty surfactants after derivatization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.23
    methanol 1.25
    isopropanol 3.84
    water 0.0
    ethyl acetate 78.91
    n-propanol 5.55
    acetone 29.36
    n-butanol 9.7
    acetonitrile 4.3
    DMF 32.04
    toluene 51.34
    isobutanol 8.56
    1,4-dioxane 91.92
    methyl acetate 34.36
    THF 313.65
    2-butanone 55.09
    n-pentanol 9.61
    sec-butanol 10.68
    n-hexane 35.54
    ethylene glycol 0.18
    NMP 208.46
    cyclohexane 184.19
    DMSO 54.53
    n-butyl acetate 169.04
    n-octanol 29.62
    chloroform 231.75
    n-propyl acetate 104.59
    acetic acid 8.29
    dichloromethane 211.68
    cyclohexanone 256.5
    propylene glycol 0.83
    isopropyl acetate 114.19
    DMAc 122.23
    2-ethoxyethanol 16.81
    isopentanol 18.19
    n-heptane 111.78
    ethyl formate 20.0
    1,2-dichloroethane 147.63
    n-hexanol 15.72
    2-methoxyethanol 13.91
    isobutyl acetate 97.34
    tetrachloromethane 95.9
    n-pentyl acetate 225.32
    transcutol 212.2
    n-heptanol 24.22
    ethylbenzene 44.21
    MIBK 103.21
    2-propoxyethanol 30.27
    tert-butanol 16.03
    MTBE 80.38
    2-butoxyethanol 48.35
    propionic acid 11.64
    o-xylene 64.07
    formic acid 0.9
    diethyl ether 52.89
    m-xylene 50.29
    p-xylene 65.94
    chlorobenzene 80.98
    dimethyl carbonate 21.23
    n-octane 39.23
    formamide 1.85
    cyclopentanone 243.85
    2-pentanone 79.55
    anisole 76.63
    cyclopentyl methyl ether 263.88
    gamma-butyrolactone 185.76
    1-methoxy-2-propanol 22.48
    pyridine 77.37
    3-pentanone 92.72
    furfural 103.63
    n-dodecane 13.96
    diethylene glycol 6.34
    diisopropyl ether 73.35
    tert-amyl alcohol 30.56
    acetylacetone 123.07
    n-hexadecane 18.28
    acetophenone 96.01
    methyl propionate 56.04
    isopentyl acetate 213.51
    trichloroethylene 251.75
    n-nonanol 38.09
    cyclohexanol 46.74
    benzyl alcohol 19.82
    2-ethylhexanol 49.47
    isooctanol 38.23
    dipropyl ether 259.07
    1,2-dichlorobenzene 125.03
    ethyl lactate 29.62
    propylene carbonate 130.88
    n-methylformamide 6.34
    2-pentanol 14.75
    n-pentane 19.34
    1-propoxy-2-propanol 68.59
    1-methoxy-2-propyl acetate 167.98
    2-(2-methoxypropoxy) propanol 77.36
    mesitylene 58.79
    ε-caprolactone 236.59
    p-cymene 90.46
    epichlorohydrin 189.85
    1,1,1-trichloroethane 274.2
    2-aminoethanol 0.96
    morpholine-4-carbaldehyde 109.53
    sulfolane 379.04
    2,2,4-trimethylpentane 34.45
    2-methyltetrahydrofuran 262.3
    n-hexyl acetate 191.1
    isooctane 20.45
    2-(2-butoxyethoxy)ethanol 79.45
    sec-butyl acetate 130.77
    tert-butyl acetate 233.16
    decalin 74.09
    glycerin 1.94
    diglyme 268.94
    acrylic acid 6.86
    isopropyl myristate 107.41
    n-butyric acid 40.87
    acetyl acetate 72.54
    di(2-ethylhexyl) phthalate 45.04
    ethyl propionate 114.93
    nitromethane 23.19
    1,2-diethoxyethane 225.9
    benzonitrile 30.87
    trioctyl phosphate 39.39
    1-bromopropane 118.81
    gamma-valerolactone 231.45
    n-decanol 24.85
    triethyl phosphate 171.15
    4-methyl-2-pentanol 19.66
    propionitrile 9.93
    vinylene carbonate 75.45
    1,1,2-trichlorotrifluoroethane 94.66
    DMS 83.82
    cumene 43.42
    2-octanol 30.41
    2-hexanone 90.23
    octyl acetate 90.27
    limonene 194.09
    1,2-dimethoxyethane 105.39
    ethyl orthosilicate 191.95
    tributyl phosphate 61.52
    diacetone alcohol 97.67
    N,N-dimethylaniline 77.5
    acrylonitrile 7.82
    aniline 30.14
    1,3-propanediol 3.32
    bromobenzene 127.32
    dibromomethane 161.48
    1,1,2,2-tetrachloroethane 307.46
    2-methyl-cyclohexyl acetate 231.25
    tetrabutyl urea 99.68
    diisobutyl methanol 76.84
    2-phenylethanol 27.04
    styrene 45.52
    dioctyl adipate 145.89
    dimethyl sulfate 64.06
    ethyl butyrate 275.51
    methyl lactate 16.46
    butyl lactate 91.55
    diethyl carbonate 139.3
    propanediol butyl ether 25.37
    triethyl orthoformate 297.53
    p-tert-butyltoluene 90.68
    methyl 4-tert-butylbenzoate 169.31
    morpholine 91.65
    tert-butylamine 16.99
    n-dodecanol 19.05
    dimethoxymethane 45.58
    ethylene carbonate 78.84
    cyrene 78.58
    2-ethoxyethyl acetate 174.47
    2-ethylhexyl acetate 230.23
    1,2,4-trichlorobenzene 147.32
    4-methylpyridine 86.08
    dibutyl ether 244.7
    2,6-dimethyl-4-heptanol 76.84
    DEF 114.0
    dimethyl isosorbide 301.41
    tetrachloroethylene 172.65
    eugenol 74.72
    triacetin 187.84
    span 80 72.15
    1,4-butanediol 1.56
    1,1-dichloroethane 119.82
    2-methyl-1-pentanol 19.51
    methyl formate 6.96
    2-methyl-1-butanol 17.28
    n-decane 39.4
    butyronitrile 17.75
    3,7-dimethyl-1-octanol 56.76
    1-chlorooctane 103.03
    1-chlorotetradecane 32.66
    n-nonane 40.86
    undecane 21.6
    tert-butylcyclohexane 53.57
    cyclooctane 81.72
    cyclopentanol 40.17
    tetrahydropyran 198.14
    tert-amyl methyl ether 120.78
    2,5,8-trioxanonane 158.49
    1-hexene 40.0
    2-isopropoxyethanol 23.11
    2,2,2-trifluoroethanol 5.86
    methyl butyrate 138.47

    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