1-Pentacosene

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  • Identifiers

    CAS number
    16980-85-1

    Molecular formula
    C25H50

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCC=C

  • Odor profile

    Fragrance
    Waxy 77.78%
    Fatty 45.85%
    Oily 35.06%
    Odorless 22.02%
    Sweet 20.77%
    Meaty 20.65%
    Fishy 20.44%
    Gassy 16.77%
    Savory 16.56%
    Clean 14.15%

     

    Flavor
    Alkane 49.23%
    Waxy 44.63%
    Bland 23.25%
    Slightly waxy 21.23%
    Mild 20.93%
    Delicate 20.83%
    Incense 19.79%
    Citrus peel 19.66%
    Faint 19.59%
    Diterpene 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    8.35 (weak base)

    Molecular weight
    350.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Flash point

    • 200.14 ˚C est.

  • Synonyms

    • 1-Pentacosene
    • pentacos-1-ene
    • Pentacosene
    • 16980-85-1
    • UNII-4NJA26G80G
    • 4NJA26G80G
    • n-C13H27CH=CH2
    • CHEBI:78465
    • DTXSID40168759
    • LMFA11000326
    • A838053
    • Q27147831

  • Applications

    1-Pentacosene, CAS 16980-85-1, is a long-chain alkene primarily regarded as an organic synthesis building block and as a non-polar component in industrial formulations. In practice, it is often used as a building unit for long-chain aliphatic compounds and may act as a processing aid in the production of plastics, rubbers, and coatings to improve lubricity and surface properties. It is also used in cosmetics and personal care as a non-volatile oil-based ingredient to supplement the base matrix and enhance slip. In coatings/inks and polymers/plastics, 1-Pentacosene can serve as a non-polar carrier or waxy additive to help adjust processing characteristics and surface durability. Specific use depends on local regulations and formulation limits and may be considered part of the broader oleochemical or hydrocarbon processing chain.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.64
    methanol 3.03
    isopropanol 13.55
    water 0.0
    ethyl acetate 199.03
    n-propanol 16.29
    acetone 81.63
    n-butanol 29.72
    acetonitrile 12.21
    DMF 71.79
    toluene 129.42
    isobutanol 25.43
    1,4-dioxane 222.05
    methyl acetate 81.99
    THF 739.34
    2-butanone 136.98
    n-pentanol 26.38
    sec-butanol 33.09
    n-hexane 114.48
    ethylene glycol 0.4
    NMP 347.05
    cyclohexane 596.9
    DMSO 116.1
    n-butyl acetate 455.9
    n-octanol 71.76
    chloroform 447.99
    n-propyl acetate 259.93
    acetic acid 16.19
    dichloromethane 419.33
    cyclohexanone 560.04
    propylene glycol 1.91
    isopropyl acetate 286.15
    DMAc 216.5
    2-ethoxyethanol 40.09
    isopentanol 55.28
    n-heptane 372.47
    ethyl formate 46.38
    1,2-dichloroethane 336.46
    n-hexanol 49.63
    2-methoxyethanol 33.49
    isobutyl acetate 240.1
    tetrachloromethane 199.52
    n-pentyl acetate 477.37
    transcutol 444.96
    n-heptanol 60.83
    ethylbenzene 113.38
    MIBK 264.32
    2-propoxyethanol 77.91
    tert-butanol 56.07
    MTBE 229.12
    2-butoxyethanol 101.43
    propionic acid 25.52
    o-xylene 148.55
    formic acid 1.32
    diethyl ether 179.74
    m-xylene 122.89
    p-xylene 164.36
    chlorobenzene 172.74
    dimethyl carbonate 40.02
    n-octane 107.29
    formamide 2.98
    cyclopentanone 509.47
    2-pentanone 213.77
    anisole 181.25
    cyclopentyl methyl ether 625.03
    gamma-butyrolactone 364.73
    1-methoxy-2-propanol 55.58
    pyridine 171.97
    3-pentanone 219.01
    furfural 195.07
    n-dodecane 35.47
    diethylene glycol 15.01
    diisopropyl ether 212.54
    tert-amyl alcohol 87.88
    acetylacetone 267.52
    n-hexadecane 46.37
    acetophenone 205.85
    methyl propionate 123.03
    isopentyl acetate 514.18
    trichloroethylene 500.67
    n-nonanol 90.31
    cyclohexanol 129.0
    benzyl alcohol 46.2
    2-ethylhexanol 142.12
    isooctanol 92.34
    dipropyl ether 753.63
    1,2-dichlorobenzene 241.9
    ethyl lactate 62.42
    propylene carbonate 247.56
    n-methylformamide 12.51
    2-pentanol 48.1
    n-pentane 66.59
    1-propoxy-2-propanol 175.55
    1-methoxy-2-propyl acetate 377.91
    2-(2-methoxypropoxy) propanol 150.97
    mesitylene 137.79
    ε-caprolactone 465.06
    p-cymene 218.36
    epichlorohydrin 394.28
    1,1,1-trichloroethane 593.8
    2-aminoethanol 2.21
    morpholine-4-carbaldehyde 212.55
    sulfolane 656.61
    2,2,4-trimethylpentane 82.54
    2-methyltetrahydrofuran 631.1
    n-hexyl acetate 405.0
    isooctane 58.35
    2-(2-butoxyethoxy)ethanol 164.85
    sec-butyl acetate 318.24
    tert-butyl acetate 527.73
    decalin 187.09
    glycerin 3.95
    diglyme 519.23
    acrylic acid 13.43
    isopropyl myristate 239.93
    n-butyric acid 95.62
    acetyl acetate 148.21
    di(2-ethylhexyl) phthalate 91.03
    ethyl propionate 279.73
    nitromethane 45.01
    1,2-diethoxyethane 536.63
    benzonitrile 72.31
    trioctyl phosphate 84.8
    1-bromopropane 310.03
    gamma-valerolactone 430.99
    n-decanol 61.94
    triethyl phosphate 327.96
    4-methyl-2-pentanol 58.79
    propionitrile 29.45
    vinylene carbonate 133.26
    1,1,2-trichlorotrifluoroethane 167.33
    DMS 167.89
    cumene 105.06
    2-octanol 75.78
    2-hexanone 230.72
    octyl acetate 208.25
    limonene 479.32
    1,2-dimethoxyethane 255.46
    ethyl orthosilicate 373.49
    tributyl phosphate 127.72
    diacetone alcohol 223.84
    N,N-dimethylaniline 170.23
    acrylonitrile 20.0
    aniline 70.19
    1,3-propanediol 8.44
    bromobenzene 262.32
    dibromomethane 338.36
    1,1,2,2-tetrachloroethane 601.97
    2-methyl-cyclohexyl acetate 483.68
    tetrabutyl urea 201.87
    diisobutyl methanol 212.64
    2-phenylethanol 66.71
    styrene 115.44
    dioctyl adipate 291.01
    dimethyl sulfate 105.07
    ethyl butyrate 650.43
    methyl lactate 33.18
    butyl lactate 177.91
    diethyl carbonate 317.74
    propanediol butyl ether 52.22
    triethyl orthoformate 641.32
    p-tert-butyltoluene 213.63
    methyl 4-tert-butylbenzoate 300.64
    morpholine 221.79
    tert-butylamine 60.88
    n-dodecanol 48.28
    dimethoxymethane 106.66
    ethylene carbonate 153.22
    cyrene 139.71
    2-ethoxyethyl acetate 351.85
    2-ethylhexyl acetate 533.23
    1,2,4-trichlorobenzene 270.13
    4-methylpyridine 200.21
    dibutyl ether 598.16
    2,6-dimethyl-4-heptanol 212.64
    DEF 263.12
    dimethyl isosorbide 534.83
    tetrachloroethylene 342.9
    eugenol 135.73
    triacetin 349.31
    span 80 147.47
    1,4-butanediol 3.57
    1,1-dichloroethane 289.42
    2-methyl-1-pentanol 51.68
    methyl formate 13.46
    2-methyl-1-butanol 48.3
    n-decane 97.41
    butyronitrile 53.76
    3,7-dimethyl-1-octanol 137.88
    1-chlorooctane 242.01
    1-chlorotetradecane 81.09
    n-nonane 105.1
    undecane 53.8
    tert-butylcyclohexane 136.71
    cyclooctane 237.55
    cyclopentanol 106.02
    tetrahydropyran 524.6
    tert-amyl methyl ether 292.04
    2,5,8-trioxanonane 308.56
    1-hexene 124.57
    2-isopropoxyethanol 56.13
    2,2,2-trifluoroethanol 9.63
    methyl butyrate 329.74

    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
Nicotiana rustica flower Nicotiana rustica L, subgenus Rustica, var. brasilia, fam. Solanaceae 0.05%
Nicotiana forgetiana flower Nicotiana forgetiana Hort. ex Hensley (subgenus Petunioides), Solanaceae 1.65%