Pentatriacontane

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  • Identifiers

    CAS number
    630-07-9

    Molecular formula
    C35H72

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

  • Odor profile

    Fragrance
    Waxy 86.5%
    Fatty 38.75%
    Oily 30.24%
    Odorless 25.71%
    Fishy 16.8%
    Meaty 13.53%
    Savory 12.55%
    Sweet 11.27%
    Burnt 11.23%
    Animal 10.42%

     

    Flavor
    Alkane 61.34%
    Waxy 52.86%
    Bland 27.81%
    Mild 24.88%
    Slightly waxy 20.86%
    Delicate 19.85%
    Incense 18.8%
    Citrus peel 18.72%
    Bay oil 18.36%
    Beer 18.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.6

    pKa est.
    11.1 (strong base)

    Molecular weight
    492.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    569°C

    Flash point

    • 277.78 ˚C est.

  • Synonyms

    • Pentatriacontane
    • N-PENTATRIACONTANE
    • 630-07-9
    • NSC 125400
    • KP13LFH341
    • NSC-125400
    • UNII-KP13LFH341
    • DTXSID9074723
    • Pentatriacontane (8CI)(9CI)
    • MFCD00059397
    • Pentatriacontane (8CI)
    • DTXCID8043606
    • Pentatriacontane, analytical standard
    • LMFA11000584
    • N-C-35
    • NSC125400
    • HY-W343304
    • AS-87643
    • CS-0454353
    • NS00010793
    • P0062
    • T72742
    • Q151158
    • Pentatriacontane; NSC 125400; n-Pentatriacontane
    • 25E3ABFD-53A7-41A8-9766-C537F92EC7FF

  • Applications

    Pentatriacontane (CAS 630-07-9) is a highly hydrophobic C35 straight-chain alkane used as a component of paraffin/natural waxes and as an additive to harden candle wax, provide water-repellent coatings for paper/wood/leather, act as a lubricant and mold-release agent, and form moisture/corrosion-protective barriers; it serves as a high-melting phase change material (PCM, ~75–80 °C) for thermal energy storage and thermal management, typically in paraffin blends; it is employed as an n-alkane reference in gas chromatography to set Kováts retention indices, calibrate carbon-number distributions, and verify column/detector performance, as well as an internal/external standard for quantifying long-chain hydrocarbons in petroleum, natural waxes, and biogenic aerosols; it is also a model compound for studies of crystallization and surface chemistry and an additive to tune crystallinity, viscosity, and processability of polyolefins and wax-based materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.51
    methanol 0.99
    isopropanol 2.33
    water 0.01
    ethyl acetate 64.83
    n-propanol 3.89
    acetone 21.48
    n-butanol 6.33
    acetonitrile 3.61
    DMF 28.72
    toluene 41.61
    isobutanol 5.85
    1,4-dioxane 74.01
    methyl acetate 30.65
    THF 242.53
    2-butanone 43.34
    n-pentanol 6.72
    sec-butanol 6.99
    n-hexane 23.23
    ethylene glycol 0.18
    NMP 209.1
    cyclohexane 121.62
    DMSO 43.25
    n-butyl acetate 134.56
    n-octanol 21.85
    chloroform 215.43
    n-propyl acetate 83.73
    acetic acid 7.6
    dichloromethane 189.74
    cyclohexanone 217.13
    propylene glycol 0.66
    isopropyl acetate 89.51
    DMAc 110.75
    2-ethoxyethanol 12.9
    isopentanol 11.5
    n-heptane 71.09
    ethyl formate 17.25
    1,2-dichloroethane 119.61
    n-hexanol 10.89
    2-methoxyethanol 10.41
    isobutyl acetate 76.88
    tetrachloromethane 83.46
    n-pentyl acetate 183.85
    transcutol 156.74
    n-heptanol 18.48
    ethylbenzene 32.92
    MIBK 72.66
    2-propoxyethanol 23.24
    tert-butanol 9.6
    MTBE 55.66
    2-butoxyethanol 39.94
    propionic acid 11.15
    o-xylene 49.8
    formic acid 0.99
    diethyl ether 34.59
    m-xylene 38.75
    p-xylene 52.41
    chlorobenzene 72.54
    dimethyl carbonate 21.31
    n-octane 27.66
    formamide 1.92
    cyclopentanone 210.14
    2-pentanone 56.82
    anisole 60.39
    cyclopentyl methyl ether 205.96
    gamma-butyrolactone 181.31
    1-methoxy-2-propanol 16.41
    pyridine 69.12
    3-pentanone 74.69
    furfural 99.72
    n-dodecane 10.25
    diethylene glycol 5.13
    diisopropyl ether 49.26
    tert-amyl alcohol 20.55
    acetylacetone 102.83
    n-hexadecane 13.41
    acetophenone 81.53
    methyl propionate 49.57
    isopentyl acetate 166.67
    trichloroethylene 227.96
    n-nonanol 28.62
    cyclohexanol 34.61
    benzyl alcohol 15.81
    2-ethylhexanol 35.25
    isooctanol 28.33
    dipropyl ether 181.42
    1,2-dichlorobenzene 112.12
    ethyl lactate 25.88
    propylene carbonate 128.52
    n-methylformamide 6.2
    2-pentanol 9.38
    n-pentane 12.18
    1-propoxy-2-propanol 50.0
    1-methoxy-2-propyl acetate 136.33
    2-(2-methoxypropoxy) propanol 60.72
    mesitylene 44.94
    ε-caprolactone 209.81
    p-cymene 69.41
    epichlorohydrin 162.31
    1,1,1-trichloroethane 234.42
    2-aminoethanol 0.82
    morpholine-4-carbaldehyde 105.62
    sulfolane 374.67
    2,2,4-trimethylpentane 24.33
    2-methyltetrahydrofuran 197.6
    n-hexyl acetate 150.47
    isooctane 13.1
    2-(2-butoxyethoxy)ethanol 62.15
    sec-butyl acetate 103.13
    tert-butyl acetate 183.43
    decalin 53.36
    glycerin 1.66
    diglyme 224.08
    acrylic acid 7.15
    isopropyl myristate 82.67
    n-butyric acid 33.39
    acetyl acetate 67.49
    di(2-ethylhexyl) phthalate 38.23
    ethyl propionate 96.4
    nitromethane 22.05
    1,2-diethoxyethane 161.96
    benzonitrile 26.19
    trioctyl phosphate 32.64
    1-bromopropane 86.66
    gamma-valerolactone 208.79
    n-decanol 18.36
    triethyl phosphate 152.82
    4-methyl-2-pentanol 12.31
    propionitrile 8.22
    vinylene carbonate 78.4
    1,1,2-trichlorotrifluoroethane 93.28
    DMS 80.69
    cumene 32.89
    2-octanol 22.44
    2-hexanone 68.7
    octyl acetate 70.33
    limonene 148.5
    1,2-dimethoxyethane 81.77
    ethyl orthosilicate 163.99
    tributyl phosphate 52.69
    diacetone alcohol 73.79
    N,N-dimethylaniline 61.35
    acrylonitrile 7.07
    aniline 24.59
    1,3-propanediol 2.53
    bromobenzene 116.5
    dibromomethane 134.48
    1,1,2,2-tetrachloroethane 268.68
    2-methyl-cyclohexyl acetate 194.13
    tetrabutyl urea 82.38
    diisobutyl methanol 51.43
    2-phenylethanol 20.58
    styrene 35.03
    dioctyl adipate 116.42
    dimethyl sulfate 70.48
    ethyl butyrate 218.4
    methyl lactate 15.25
    butyl lactate 77.52
    diethyl carbonate 119.98
    propanediol butyl ether 20.3
    triethyl orthoformate 246.73
    p-tert-butyltoluene 71.25
    methyl 4-tert-butylbenzoate 144.88
    morpholine 71.77
    tert-butylamine 10.01
    n-dodecanol 13.94
    dimethoxymethane 36.51
    ethylene carbonate 80.22
    cyrene 68.4
    2-ethoxyethyl acetate 154.72
    2-ethylhexyl acetate 187.79
    1,2,4-trichlorobenzene 138.71
    4-methylpyridine 71.87
    dibutyl ether 174.91
    2,6-dimethyl-4-heptanol 51.43
    DEF 94.04
    dimethyl isosorbide 250.25
    tetrachloroethylene 152.17
    eugenol 64.4
    triacetin 171.89
    span 80 57.01
    1,4-butanediol 1.29
    1,1-dichloroethane 93.43
    2-methyl-1-pentanol 13.34
    methyl formate 6.98
    2-methyl-1-butanol 11.9
    n-decane 28.97
    butyronitrile 12.91
    3,7-dimethyl-1-octanol 39.53
    1-chlorooctane 76.54
    1-chlorotetradecane 24.48
    n-nonane 29.1
    undecane 15.75
    tert-butylcyclohexane 39.09
    cyclooctane 56.99
    cyclopentanol 30.54
    tetrahydropyran 140.76
    tert-amyl methyl ether 87.56
    2,5,8-trioxanonane 127.63
    1-hexene 27.36
    2-isopropoxyethanol 17.62
    2,2,2-trifluoroethanol 6.5
    methyl butyrate 112.56

    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

Botanical

Name CAS Botanical Proportion
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 0.01%