5-Phenylundecane

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  • Identifiers

    CAS number
    4537-15-9

    Molecular formula
    C17H28

    SMILES
    CCCCCCC(CCCC)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 53.93%
    Fatty 39.51%
    Oily 38.21%
    Herbal 29.59%
    Green 28.9%
    Sweet 28.0%
    Spicy 24.93%
    Gassy 24.34%
    Balsamic 23.67%
    Metallic 22.84%

     

    Flavor
    Alkane 30.95%
    Waxy 30.17%
    Delicate 21.0%
    Mild 20.95%
    Diterpene 20.28%
    Low 20.04%
    Slightly waxy 19.76%
    Incense 19.34%
    Citrus peel 19.05%
    Terpentine 18.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    8.15 (weak base)

    Molecular weight
    232.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 136.38 ˚C est.

  • Synonyms

    • 5-Phenylundecane
    • 4537-15-9
    • Benzene, (1-butylheptyl)-
    • undecan-5-ylbenzene
    • (1-BUTYLHEPTYL)BENZENE
    • alpha-butylheptylbenzene
    • CHEBI:77513
    • DTXSID40874984
    • 5Phenylundecane
    • RefChem:537749
    • DTXCID701013108
    • Undecane, 5-phenyl-
    • (Undecan-5-yl)benzene
    • (1-Butylheptyl)-benzene
    • Benzene,(1-butylheptyl)-
    • (1-Butylheptyl)benzene #
    • SCHEMBL816950
    • SCHEMBL981448
    • SCHEMBL6679763
    • SCHEMBL10358358
    • SCHEMBL15563133
    • RRPCXIBGXYGQNC-UHFFFAOYSA-N
    • NS00095862
    • Q27147092
    • 4537-15-9

  • Applications

    5-Phenylundecane (CAS 4537-15-9) is a long-chain, nonpolar hydrocarbon that is commonly evaluated as a fragrance component or fixative in perfumery and cosmetics due to its high molecular weight and low volatility. It may also be used as a high-boiling solvent or diluent in coatings, inks, and cleaning formulations, where its lipophilic character supports carrier properties and pigment dispersion. In industrial manufacturing it can function as an intermediate or processing aid in the synthesis of specialty chemicals. In polymer and plastics processing it may act as a compatibility modifier or nonpolar additive in certain formulations, depending on the system and applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5179.44
    methanol 1660.59
    isopropanol 5786.15
    water 0.0
    ethyl acetate 21834.2
    n-propanol 6077.83
    acetone 22495.83
    n-butanol 7376.54
    acetonitrile 5971.14
    DMF 8524.41
    toluene 12410.9
    isobutanol 5442.05
    1,4-dioxane 22971.22
    methyl acetate 10698.8
    THF 32044.63
    2-butanone 19863.81
    n-pentanol 4404.4
    sec-butanol 6286.78
    n-hexane 11387.28
    ethylene glycol 104.61
    NMP 5468.41
    cyclohexane 17720.15
    DMSO 7197.12
    n-butyl acetate 29629.53
    n-octanol 2253.69
    chloroform 17586.37
    n-propyl acetate 13026.75
    acetic acid 1428.83
    dichloromethane 24721.54
    cyclohexanone 25293.68
    propylene glycol 335.73
    isopropyl acetate 15820.46
    DMAc 6588.16
    2-ethoxyethanol 3818.9
    isopentanol 7419.69
    n-heptane 8469.18
    ethyl formate 4589.39
    1,2-dichloroethane 26882.91
    n-hexanol 9048.02
    2-methoxyethanol 5197.65
    isobutyl acetate 8124.86
    tetrachloromethane 4283.95
    n-pentyl acetate 8423.84
    transcutol 18751.2
    n-heptanol 2285.98
    ethylbenzene 4624.84
    MIBK 11958.24
    2-propoxyethanol 8233.58
    tert-butanol 8980.36
    MTBE 30320.84
    2-butoxyethanol 3316.33
    propionic acid 2161.61
    o-xylene 4302.56
    formic acid 69.2
    diethyl ether 46774.27
    m-xylene 5576.04
    p-xylene 4737.29
    chlorobenzene 8682.3
    dimethyl carbonate 2294.81
    n-octane 2040.93
    formamide 243.88
    cyclopentanone 17589.8
    2-pentanone 22888.17
    anisole 6902.09
    cyclopentyl methyl ether 21279.78
    gamma-butyrolactone 10366.01
    1-methoxy-2-propanol 5208.63
    pyridine 17059.31
    3-pentanone 15507.79
    furfural 4943.5
    n-dodecane 728.44
    diethylene glycol 1531.58
    diisopropyl ether 13480.95
    tert-amyl alcohol 7324.19
    acetylacetone 13031.1
    n-hexadecane 920.99
    acetophenone 4024.56
    methyl propionate 10913.9
    isopentyl acetate 22081.46
    trichloroethylene 23015.63
    n-nonanol 2198.6
    cyclohexanol 8055.83
    benzyl alcohol 2220.86
    2-ethylhexanol 8531.83
    isooctanol 2362.69
    dipropyl ether 35044.42
    1,2-dichlorobenzene 5915.05
    ethyl lactate 1312.63
    propylene carbonate 5601.53
    n-methylformamide 1932.57
    2-pentanol 7128.56
    n-pentane 7371.5
    1-propoxy-2-propanol 9451.15
    1-methoxy-2-propyl acetate 12948.7
    2-(2-methoxypropoxy) propanol 2347.64
    mesitylene 3508.38
    ε-caprolactone 14574.21
    p-cymene 3424.79
    epichlorohydrin 19485.29
    1,1,1-trichloroethane 19529.51
    2-aminoethanol 517.07
    morpholine-4-carbaldehyde 6674.7
    sulfolane 8867.44
    2,2,4-trimethylpentane 1919.45
    2-methyltetrahydrofuran 32304.52
    n-hexyl acetate 8824.48
    isooctane 1928.57
    2-(2-butoxyethoxy)ethanol 4040.41
    sec-butyl acetate 9358.62
    tert-butyl acetate 16295.88
    decalin 3349.13
    glycerin 309.67
    diglyme 11163.3
    acrylic acid 913.33
    isopropyl myristate 3320.58
    n-butyric acid 7126.95
    acetyl acetate 6787.71
    di(2-ethylhexyl) phthalate 1238.78
    ethyl propionate 11233.31
    nitromethane 3945.85
    1,2-diethoxyethane 31161.63
    benzonitrile 4007.78
    trioctyl phosphate 1161.64
    1-bromopropane 27732.52
    gamma-valerolactone 15196.14
    n-decanol 1572.67
    triethyl phosphate 3056.46
    4-methyl-2-pentanol 3877.75
    propionitrile 8008.19
    vinylene carbonate 3618.58
    1,1,2-trichlorotrifluoroethane 4039.2
    DMS 4057.56
    cumene 2439.19
    2-octanol 1863.78
    2-hexanone 13395.39
    octyl acetate 3412.3
    limonene 8150.22
    1,2-dimethoxyethane 16077.75
    ethyl orthosilicate 3650.88
    tributyl phosphate 1739.05
    diacetone alcohol 6582.18
    N,N-dimethylaniline 3532.31
    acrylonitrile 4941.98
    aniline 6034.84
    1,3-propanediol 1564.48
    bromobenzene 11665.33
    dibromomethane 20182.86
    1,1,2,2-tetrachloroethane 19138.49
    2-methyl-cyclohexyl acetate 5956.93
    tetrabutyl urea 2460.8
    diisobutyl methanol 4786.97
    2-phenylethanol 3533.79
    styrene 6594.05
    dioctyl adipate 3366.48
    dimethyl sulfate 2251.35
    ethyl butyrate 19899.38
    methyl lactate 1249.37
    butyl lactate 2664.06
    diethyl carbonate 7603.48
    propanediol butyl ether 1405.76
    triethyl orthoformate 9573.68
    p-tert-butyltoluene 3233.76
    methyl 4-tert-butylbenzoate 2585.03
    morpholine 26734.4
    tert-butylamine 8859.32
    n-dodecanol 1272.88
    dimethoxymethane 12244.11
    ethylene carbonate 4671.7
    cyrene 1276.61
    2-ethoxyethyl acetate 8565.98
    2-ethylhexyl acetate 17767.46
    1,2,4-trichlorobenzene 5662.47
    4-methylpyridine 17951.87
    dibutyl ether 18934.43
    2,6-dimethyl-4-heptanol 4786.97
    DEF 16641.1
    dimethyl isosorbide 4858.5
    tetrachloroethylene 10404.6
    eugenol 1705.07
    triacetin 3790.54
    span 80 2166.55
    1,4-butanediol 430.12
    1,1-dichloroethane 22798.68
    2-methyl-1-pentanol 4796.64
    methyl formate 1496.97
    2-methyl-1-butanol 6608.92
    n-decane 1782.25
    butyronitrile 12580.34
    3,7-dimethyl-1-octanol 3593.94
    1-chlorooctane 5078.2
    1-chlorotetradecane 1529.72
    n-nonane 2186.16
    undecane 1065.13
    tert-butylcyclohexane 2694.47
    cyclooctane 5078.77
    cyclopentanol 5315.33
    tetrahydropyran 49865.59
    tert-amyl methyl ether 15937.87
    2,5,8-trioxanonane 4739.34
    1-hexene 21553.21
    2-isopropoxyethanol 3550.68
    2,2,2-trifluoroethanol 246.42
    methyl butyrate 14289.33

    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