5-Propyltridecane

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  • Identifiers

    CAS number
    55045-11-9

    Molecular formula
    C16H34

    SMILES
    CCCCCCCCC(CCC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.52%
    Oily 33.86%
    Sweet 31.04%
    Gassy 30.23%
    Fatty 29.89%
    Fishy 19.29%
    Fresh 18.88%
    Meaty 17.9%
    Clean 17.42%
    Odorless 17.25%

     

    Flavor
    Alkane 63.31%
    Waxy 44.05%
    Mild 23.33%
    Delicate 22.91%
    Bland 22.82%
    Slightly waxy 22.25%
    Incense 21.56%
    Citrus peel 21.52%
    Grapefruit peel 20.79%
    Coumarinic 20.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    8.4 (weak base)

    Molecular weight
    226.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    272°C

    Flash point

    • 118.82 ˚C est.

  • Synonyms

    • 5-PROPYLTRIDECANE
    • 55045-11-9
    • DTXSID70866458
    • RefChem:537780
    • DTXCID00814740
    • Tridecane, 5-propyl-
    • 5-propyl-tridecane
    • 5-Propyltridecane #
    • SCHEMBL103378
    • SCHEMBL199530
    • SCHEMBL2991307
    • SCHEMBL25182564
    • SCHEMBL28100081
    • DB-317810
    • NS00125241
    • 55045-11-9

  • Applications

    5-Propyltridecane (CAS 55045-11-9) is a long-chain branched alkane commonly used as a nonpolar solvent and diluent in industrial formulations. In coatings and inks, it serves as a solvent and carrier for pigments and additives; in polymer and plastics manufacturing, it can act as a processing aid to improve flow and processing; in lubricants and grease formulations, it is a component of basestocks contributing to solvency and viscosity; as an intermediate, it may be used in the synthesis of other branched hydrocarbon species; and in cosmetics and personal care, it can function as a nonpolar solvent or carrier where allowed by formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2403.8
    methanol 632.37
    isopropanol 4077.83
    water 0.0
    ethyl acetate 12718.71
    n-propanol 3739.09
    acetone 10072.83
    n-butanol 5608.57
    acetonitrile 2460.72
    DMF 3764.48
    toluene 8118.01
    isobutanol 4140.33
    1,4-dioxane 13330.88
    methyl acetate 5628.44
    THF 30300.93
    2-butanone 11176.22
    n-pentanol 3834.81
    sec-butanol 5561.58
    n-hexane 17998.73
    ethylene glycol 45.13
    NMP 4665.15
    cyclohexane 33334.74
    DMSO 4482.59
    n-butyl acetate 30478.62
    n-octanol 3662.55
    chloroform 12296.77
    n-propyl acetate 11000.12
    acetic acid 907.81
    dichloromethane 13140.25
    cyclohexanone 21760.46
    propylene glycol 195.13
    isopropyl acetate 12135.96
    DMAc 3971.91
    2-ethoxyethanol 2503.28
    isopentanol 7306.45
    n-heptane 27658.73
    ethyl formate 2984.75
    1,2-dichloroethane 13385.62
    n-hexanol 9482.82
    2-methoxyethanol 2805.46
    isobutyl acetate 8262.21
    tetrachloromethane 4568.57
    n-pentyl acetate 10777.83
    transcutol 13173.3
    n-heptanol 3878.95
    ethylbenzene 4429.69
    MIBK 10846.7
    2-propoxyethanol 6526.5
    tert-butanol 8966.01
    MTBE 24626.23
    2-butoxyethanol 3983.23
    propionic acid 1540.19
    o-xylene 4435.65
    formic acid 34.06
    diethyl ether 27327.14
    m-xylene 4872.1
    p-xylene 5250.11
    chlorobenzene 5802.7
    dimethyl carbonate 1055.78
    n-octane 5617.65
    formamide 96.68
    cyclopentanone 15469.44
    2-pentanone 15572.12
    anisole 4983.62
    cyclopentyl methyl ether 22190.39
    gamma-butyrolactone 8358.83
    1-methoxy-2-propanol 3602.16
    pyridine 10293.93
    3-pentanone 10453.59
    furfural 3736.39
    n-dodecane 1690.99
    diethylene glycol 1043.79
    diisopropyl ether 14262.19
    tert-amyl alcohol 8222.85
    acetylacetone 8315.48
    n-hexadecane 2116.54
    acetophenone 3416.42
    methyl propionate 5910.82
    isopentyl acetate 25613.06
    trichloroethylene 12953.31
    n-nonanol 3679.54
    cyclohexanol 9150.08
    benzyl alcohol 1706.16
    2-ethylhexanol 13338.73
    isooctanol 4549.95
    dipropyl ether 47997.3
    1,2-dichlorobenzene 4862.24
    ethyl lactate 1348.56
    propylene carbonate 4894.6
    n-methylformamide 912.86
    2-pentanol 6717.35
    n-pentane 11703.99
    1-propoxy-2-propanol 10653.95
    1-methoxy-2-propyl acetate 10933.29
    2-(2-methoxypropoxy) propanol 2713.79
    mesitylene 4120.06
    ε-caprolactone 12718.15
    p-cymene 5934.58
    epichlorohydrin 11696.04
    1,1,1-trichloroethane 15933.2
    2-aminoethanol 250.84
    morpholine-4-carbaldehyde 4652.15
    sulfolane 8181.12
    2,2,4-trimethylpentane 3803.69
    2-methyltetrahydrofuran 29929.78
    n-hexyl acetate 10528.67
    isooctane 3746.56
    2-(2-butoxyethoxy)ethanol 4303.58
    sec-butyl acetate 9823.87
    tert-butyl acetate 15699.99
    decalin 6143.43
    glycerin 197.56
    diglyme 10371.09
    acrylic acid 597.08
    isopropyl myristate 4994.14
    n-butyric acid 5662.77
    acetyl acetate 4605.14
    di(2-ethylhexyl) phthalate 1562.81
    ethyl propionate 9202.74
    nitromethane 2068.39
    1,2-diethoxyethane 23491.77
    benzonitrile 3348.11
    trioctyl phosphate 1844.9
    1-bromopropane 20598.12
    gamma-valerolactone 10739.96
    n-decanol 2613.1
    triethyl phosphate 4468.04
    4-methyl-2-pentanol 4814.55
    propionitrile 4621.51
    vinylene carbonate 2769.08
    1,1,2-trichlorotrifluoroethane 3232.48
    DMS 2986.24
    cumene 2934.55
    2-octanol 3681.08
    2-hexanone 12429.51
    octyl acetate 4587.43
    limonene 15043.47
    1,2-dimethoxyethane 12574.09
    ethyl orthosilicate 5593.97
    tributyl phosphate 2586.09
    diacetone alcohol 6834.27
    N,N-dimethylaniline 3412.49
    acrylonitrile 2629.18
    aniline 3870.26
    1,3-propanediol 911.61
    bromobenzene 8078.68
    dibromomethane 13246.76
    1,1,2,2-tetrachloroethane 13124.36
    2-methyl-cyclohexyl acetate 8824.27
    tetrabutyl urea 3447.0
    diisobutyl methanol 9631.58
    2-phenylethanol 3155.51
    styrene 5102.87
    dioctyl adipate 4378.12
    dimethyl sulfate 1358.9
    ethyl butyrate 23098.41
    methyl lactate 862.68
    butyl lactate 3387.0
    diethyl carbonate 8274.92
    propanediol butyl ether 1639.59
    triethyl orthoformate 14546.38
    p-tert-butyltoluene 6022.83
    methyl 4-tert-butylbenzoate 3365.6
    morpholine 15495.61
    tert-butylamine 10115.33
    n-dodecanol 2150.0
    dimethoxymethane 5481.54
    ethylene carbonate 3738.57
    cyrene 1384.9
    2-ethoxyethyl acetate 7283.39
    2-ethylhexyl acetate 22748.01
    1,2,4-trichlorobenzene 4611.26
    4-methylpyridine 10525.54
    dibutyl ether 26524.97
    2,6-dimethyl-4-heptanol 9631.58
    DEF 10849.62
    dimethyl isosorbide 5315.04
    tetrachloroethylene 7255.67
    eugenol 1903.3
    triacetin 4203.5
    span 80 2903.35
    1,4-butanediol 302.68
    1,1-dichloroethane 14067.54
    2-methyl-1-pentanol 4880.99
    methyl formate 700.44
    2-methyl-1-butanol 5941.4
    n-decane 4211.21
    butyronitrile 8658.68
    3,7-dimethyl-1-octanol 6360.25
    1-chlorooctane 8557.2
    1-chlorotetradecane 2618.12
    n-nonane 5314.55
    undecane 2453.41
    tert-butylcyclohexane 5224.02
    cyclooctane 10734.56
    cyclopentanol 6493.27
    tetrahydropyran 39182.75
    tert-amyl methyl ether 15633.51
    2,5,8-trioxanonane 4669.01
    1-hexene 22620.04
    2-isopropoxyethanol 2894.55
    2,2,2-trifluoroethanol 187.3
    methyl butyrate 11883.12

    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