2-Phenyltridecane

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  • Identifiers

    CAS number
    4534-53-6

    Molecular formula
    C19H32

    SMILES
    CCCCCCCCCCCC(C)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 68.47%
    Fatty 40.25%
    Oily 37.49%
    Sweet 23.2%
    Balsamic 21.5%
    Fishy 21.15%
    Green 20.92%
    Burnt 20.82%
    Gassy 19.2%
    Metallic 19.14%

     

    Flavor
    Alkane 35.27%
    Waxy 33.66%
    Delicate 21.35%
    Mild 20.71%
    Slightly waxy 20.21%
    Diterpene 20.16%
    Low 19.93%
    Incense 19.36%
    Oriental 19.09%
    Citrus peel 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.89 (neutral)

    Molecular weight
    260.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 151.9 ˚C est.

  • Synonyms

    • 2-Phenyltridecane
    • tridecan-2-ylbenzene
    • RefChem:1064179
    • 4534-53-6
    • Benzene, (1-methyldodecyl)-
    • Tridecane, 2-phenyl-
    • (Tridecan-2-yl)benzene
    • 2--phenyltridecane
    • (1-methyldodecyl)-Benzene
    • (1-Methyldodecyl)benzene #
    • SCHEMBL980142
    • SCHEMBL1412787
    • SCHEMBL20854148
    • DTXSID20863412
    • CHEBI:183286
    • NS00076515
    • Q67879585
    • 4534-53-6

  • Applications

    2-Phenyltridecane (CAS 4534-53-6) is a long-chain hydrocarbon commonly evaluated for fragrance-related applications. In perfumery it can function as an odorant and fixative to help extend the scent. In cosmetics and personal care it may be used as a fragrance ingredient or as a carrier for other fragrance components. In household products it is used to impart and extend fragrance in cleaners and air fresheners. In coatings, inks and polymer processing, it may serve as a high-boiling solvent or fragrance carrier, and in industrial manufacturing it is often evaluated as an intermediate for the synthesis of fragrance-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1259.14
    methanol 378.74
    isopropanol 1461.32
    water 0.0
    ethyl acetate 7071.19
    n-propanol 1628.77
    acetone 7475.52
    n-butanol 2082.16
    acetonitrile 1416.04
    DMF 2544.38
    toluene 4124.97
    isobutanol 1440.97
    1,4-dioxane 8188.62
    methyl acetate 3513.06
    THF 14827.3
    2-butanone 6669.35
    n-pentanol 1273.43
    sec-butanol 1760.76
    n-hexane 3743.41
    ethylene glycol 18.27
    NMP 2402.14
    cyclohexane 7901.07
    DMSO 2411.17
    n-butyl acetate 10979.29
    n-octanol 832.48
    chloroform 7567.13
    n-propyl acetate 5395.93
    acetic acid 434.02
    dichloromethane 10169.84
    cyclohexanone 10623.04
    propylene glycol 72.87
    isopropyl acetate 5574.46
    DMAc 2560.88
    2-ethoxyethanol 1221.95
    isopentanol 2328.21
    n-heptane 3884.52
    ethyl formate 1627.96
    1,2-dichloroethane 9949.15
    n-hexanol 2468.87
    2-methoxyethanol 1466.91
    isobutyl acetate 3608.91
    tetrachloromethane 2346.75
    n-pentyl acetate 4065.99
    transcutol 6886.39
    n-heptanol 900.11
    ethylbenzene 1698.1
    MIBK 4593.67
    2-propoxyethanol 2431.07
    tert-butanol 2715.56
    MTBE 9818.38
    2-butoxyethanol 1314.06
    propionic acid 662.89
    o-xylene 1814.98
    formic acid 19.86
    diethyl ether 14752.93
    m-xylene 2034.66
    p-xylene 2030.93
    chlorobenzene 3277.09
    dimethyl carbonate 773.75
    n-octane 893.22
    formamide 66.09
    cyclopentanone 7825.48
    2-pentanone 7887.0
    anisole 2632.98
    cyclopentyl methyl ether 8637.95
    gamma-butyrolactone 4770.97
    1-methoxy-2-propanol 1549.66
    pyridine 5891.56
    3-pentanone 5657.63
    furfural 2057.56
    n-dodecane 314.64
    diethylene glycol 414.79
    diisopropyl ether 4796.28
    tert-amyl alcohol 2257.11
    acetylacetone 4886.94
    n-hexadecane 395.45
    acetophenone 1914.71
    methyl propionate 3462.79
    isopentyl acetate 9090.02
    trichloroethylene 9137.64
    n-nonanol 888.14
    cyclohexanol 2779.06
    benzyl alcohol 791.77
    2-ethylhexanol 2944.13
    isooctanol 1070.61
    dipropyl ether 14742.76
    1,2-dichlorobenzene 2709.87
    ethyl lactate 600.88
    propylene carbonate 2620.46
    n-methylformamide 557.33
    2-pentanol 2066.3
    n-pentane 2412.44
    1-propoxy-2-propanol 3197.01
    1-methoxy-2-propyl acetate 5199.66
    2-(2-methoxypropoxy) propanol 1120.35
    mesitylene 1460.73
    ε-caprolactone 6044.07
    p-cymene 1608.17
    epichlorohydrin 7504.48
    1,1,1-trichloroethane 8990.1
    2-aminoethanol 109.0
    morpholine-4-carbaldehyde 2581.3
    sulfolane 4162.17
    2,2,4-trimethylpentane 768.42
    2-methyltetrahydrofuran 12610.96
    n-hexyl acetate 3637.53
    isooctane 690.99
    2-(2-butoxyethoxy)ethanol 1728.47
    sec-butyl acetate 4141.86
    tert-butyl acetate 6740.13
    decalin 1432.81
    glycerin 79.46
    diglyme 4945.6
    acrylic acid 271.76
    isopropyl myristate 1644.05
    n-butyric acid 2392.39
    acetyl acetate 2728.96
    di(2-ethylhexyl) phthalate 606.26
    ethyl propionate 4527.5
    nitromethane 1304.98
    1,2-diethoxyethane 11980.19
    benzonitrile 1469.77
    trioctyl phosphate 580.68
    1-bromopropane 10311.86
    gamma-valerolactone 6107.78
    n-decanol 643.79
    triethyl phosphate 1714.84
    4-methyl-2-pentanol 1280.34
    propionitrile 2191.2
    vinylene carbonate 1622.61
    1,1,2-trichlorotrifluoroethane 1678.06
    DMS 1774.97
    cumene 1054.46
    2-octanol 807.53
    2-hexanone 5226.93
    octyl acetate 1576.67
    limonene 3748.53
    1,2-dimethoxyethane 6321.37
    ethyl orthosilicate 1974.78
    tributyl phosphate 865.61
    diacetone alcohol 2706.39
    N,N-dimethylaniline 1501.22
    acrylonitrile 1298.0
    aniline 1874.26
    1,3-propanediol 398.88
    bromobenzene 4500.6
    dibromomethane 8058.98
    1,1,2,2-tetrachloroethane 8113.38
    2-methyl-cyclohexyl acetate 3153.09
    tetrabutyl urea 1218.48
    diisobutyl methanol 2102.59
    2-phenylethanol 1175.39
    styrene 2256.96
    dioctyl adipate 1700.1
    dimethyl sulfate 986.37
    ethyl butyrate 8914.74
    methyl lactate 435.79
    butyl lactate 1220.33
    diethyl carbonate 3655.92
    propanediol butyl ether 553.48
    triethyl orthoformate 4986.51
    p-tert-butyltoluene 1527.26
    methyl 4-tert-butylbenzoate 1469.73
    morpholine 8924.03
    tert-butylamine 2580.06
    n-dodecanol 518.6
    dimethoxymethane 3774.95
    ethylene carbonate 2122.45
    cyrene 693.75
    2-ethoxyethyl acetate 3913.22
    2-ethylhexyl acetate 7711.27
    1,2,4-trichlorobenzene 2680.48
    4-methylpyridine 5792.76
    dibutyl ether 7342.49
    2,6-dimethyl-4-heptanol 2102.59
    DEF 5945.2
    dimethyl isosorbide 2579.04
    tetrachloroethylene 4648.87
    eugenol 869.83
    triacetin 1961.73
    span 80 1004.95
    1,4-butanediol 115.91
    1,1-dichloroethane 8669.82
    2-methyl-1-pentanol 1482.93
    methyl formate 459.86
    2-methyl-1-butanol 1928.23
    n-decane 761.03
    butyronitrile 3667.48
    3,7-dimethyl-1-octanol 1458.27
    1-chlorooctane 2147.53
    1-chlorotetradecane 671.32
    n-nonane 891.66
    undecane 449.15
    tert-butylcyclohexane 1150.8
    cyclooctane 2208.48
    cyclopentanol 1867.43
    tetrahydropyran 18912.98
    tert-amyl methyl ether 5458.42
    2,5,8-trioxanonane 2278.87
    1-hexene 6439.6
    2-isopropoxyethanol 1208.49
    2,2,2-trifluoroethanol 104.42
    methyl butyrate 5643.03

    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