Octylbenzene

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  • Identifiers

    CAS number
    2189-60-8

    Molecular formula
    C14H22

    SMILES
    CCCCCCCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Waxy 56.32%
    Fatty 39.72%
    Sweet 35.12%
    Oily 34.46%
    Gassy 27.25%
    Green 24.55%
    Herbal 22.55%
    Spicy 21.89%
    Metallic 21.75%
    Fishy 21.62%

     

    Flavor
    Alkane 36.46%
    Waxy 32.87%
    Incense 20.65%
    Delicate 20.63%
    Mild 20.54%
    Green bean 20.36%
    Grapefruit peel 20.35%
    Diterpene 20.34%
    Tar 20.32%
    Low 20.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.96 (neutral)

    Molecular weight
    190.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 109.6 ˚C est.

  • Synonyms

    • OCTYLBENZENE
    • n-Octylbenzene
    • 1-Phenyloctane
    • 2189-60-8
    • Benzene, octyl-
    • Phenyloctane
    • Octane, 1-phenyl-
    • Octylbenzol
    • octyl benzene
    • octyl-benzene
    • P5EAX722SI
    • MFCD00009564
    • UNII-P5EAX722SI
    • NSC-404115
    • DTXSID2062240
    • EINECS 218-582-1
    • NSC 404115
    • AI3-16044
    • 4-octylbenzene
    • 1-Phenyloctane, 98%
    • DTXCID8036570
    • BCP27130
    • NSC404115
    • AKOS009097321
    • AS-56414
    • DA-66305
    • 1-Phenyloctane, purum, >=98.0% (GC)
    • DB-019331
    • CS-0152266
    • NS00026985
    • O0046
    • EN300-24695
    • Q63392288
    • F0001-0776
    • Z199507044
    • 218-582-1

  • Applications

    Octylbenzene (CAS 2189-60-8) is a nonpolar aromatic hydrocarbon used mainly as a solvent and as an intermediate in the production of alkylbenzenes and related surfactants; it can serve as a diluent in coatings, inks, and adhesives, and may be employed as a feedstock for the synthesis of specialty aromatic compounds and polymer additives in industrial manufacturing; it is also used in cleaning formulations where low-polarity solvents are required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2556.8
    methanol 1135.25
    isopropanol 2400.94
    water 0.0
    ethyl acetate 10093.76
    n-propanol 2681.49
    acetone 8463.67
    n-butanol 3108.28
    acetonitrile 3204.86
    DMF 2538.64
    toluene 4986.72
    isobutanol 2041.44
    1,4-dioxane 10591.91
    methyl acetate 4830.2
    THF 13974.33
    2-butanone 7524.11
    n-pentanol 2189.5
    sec-butanol 2623.39
    n-hexane 5259.92
    ethylene glycol 76.58
    NMP 1594.16
    cyclohexane 6876.89
    DMSO 3944.23
    n-butyl acetate 14730.01
    n-octanol 1036.46
    chloroform 9202.82
    n-propyl acetate 6396.98
    acetic acid 809.51
    dichloromethane 12741.99
    cyclohexanone 8828.02
    propylene glycol 207.51
    isopropyl acetate 6511.53
    DMAc 2070.99
    2-ethoxyethanol 2008.06
    isopentanol 3014.07
    n-heptane 4356.15
    ethyl formate 2067.54
    1,2-dichloroethane 12462.2
    n-hexanol 4551.86
    2-methoxyethanol 2603.22
    isobutyl acetate 3689.63
    tetrachloromethane 1955.34
    n-pentyl acetate 3251.65
    transcutol 10516.31
    n-heptanol 1099.71
    ethylbenzene 2244.17
    MIBK 4732.5
    2-propoxyethanol 4414.54
    tert-butanol 3817.54
    MTBE 11527.27
    2-butoxyethanol 1534.57
    propionic acid 1082.09
    o-xylene 1829.05
    formic acid 51.52
    diethyl ether 20287.81
    m-xylene 2298.55
    p-xylene 2077.01
    chlorobenzene 3642.97
    dimethyl carbonate 887.85
    n-octane 943.26
    formamide 139.56
    cyclopentanone 6346.36
    2-pentanone 8578.83
    anisole 3205.76
    cyclopentyl methyl ether 8264.05
    gamma-butyrolactone 4074.39
    1-methoxy-2-propanol 2419.7
    pyridine 7311.48
    3-pentanone 6053.56
    furfural 2156.31
    n-dodecane 350.56
    diethylene glycol 1000.98
    diisopropyl ether 5494.57
    tert-amyl alcohol 3073.43
    acetylacetone 5384.21
    n-hexadecane 436.61
    acetophenone 1879.33
    methyl propionate 4430.73
    isopentyl acetate 10195.59
    trichloroethylene 11190.64
    n-nonanol 988.17
    cyclohexanol 3023.14
    benzyl alcohol 1075.55
    2-ethylhexanol 4284.89
    isooctanol 1051.37
    dipropyl ether 18017.52
    1,2-dichlorobenzene 2518.69
    ethyl lactate 675.42
    propylene carbonate 2425.15
    n-methylformamide 757.34
    2-pentanol 2970.67
    n-pentane 3019.46
    1-propoxy-2-propanol 4869.48
    1-methoxy-2-propyl acetate 6001.92
    2-(2-methoxypropoxy) propanol 1274.81
    mesitylene 1496.46
    ε-caprolactone 5726.89
    p-cymene 1629.83
    epichlorohydrin 8513.13
    1,1,1-trichloroethane 8758.96
    2-aminoethanol 297.58
    morpholine-4-carbaldehyde 2661.8
    sulfolane 3811.77
    2,2,4-trimethylpentane 775.89
    2-methyltetrahydrofuran 12788.11
    n-hexyl acetate 3500.86
    isooctane 794.12
    2-(2-butoxyethoxy)ethanol 2126.44
    sec-butyl acetate 4293.21
    tert-butyl acetate 6405.95
    decalin 1510.26
    glycerin 205.2
    diglyme 5313.35
    acrylic acid 487.89
    isopropyl myristate 1474.39
    n-butyric acid 3174.57
    acetyl acetate 3332.81
    di(2-ethylhexyl) phthalate 599.36
    ethyl propionate 4977.49
    nitromethane 1991.65
    1,2-diethoxyethane 15467.72
    benzonitrile 1851.76
    trioctyl phosphate 533.26
    1-bromopropane 12805.07
    gamma-valerolactone 5294.98
    n-decanol 734.06
    triethyl phosphate 1469.28
    4-methyl-2-pentanol 1596.46
    propionitrile 3725.32
    vinylene carbonate 1596.74
    1,1,2-trichlorotrifluoroethane 2005.23
    DMS 1699.81
    cumene 1141.58
    2-octanol 797.43
    2-hexanone 6404.27
    octyl acetate 1445.69
    limonene 3782.98
    1,2-dimethoxyethane 7922.25
    ethyl orthosilicate 1725.04
    tributyl phosphate 837.03
    diacetone alcohol 2852.81
    N,N-dimethylaniline 1551.26
    acrylonitrile 2418.09
    aniline 2415.05
    1,3-propanediol 785.93
    bromobenzene 4968.44
    dibromomethane 10588.96
    1,1,2,2-tetrachloroethane 9126.89
    2-methyl-cyclohexyl acetate 2909.14
    tetrabutyl urea 1086.89
    diisobutyl methanol 2405.7
    2-phenylethanol 1774.95
    styrene 3100.96
    dioctyl adipate 1477.86
    dimethyl sulfate 982.27
    ethyl butyrate 10197.89
    methyl lactate 543.5
    butyl lactate 1122.12
    diethyl carbonate 3891.38
    propanediol butyl ether 704.83
    triethyl orthoformate 4623.55
    p-tert-butyltoluene 1500.95
    methyl 4-tert-butylbenzoate 1063.87
    morpholine 10914.0
    tert-butylamine 3718.23
    n-dodecanol 605.59
    dimethoxymethane 4683.49
    ethylene carbonate 2016.6
    cyrene 649.06
    2-ethoxyethyl acetate 3715.01
    2-ethylhexyl acetate 8402.71
    1,2,4-trichlorobenzene 2480.53
    4-methylpyridine 6661.84
    dibutyl ether 8764.95
    2,6-dimethyl-4-heptanol 2405.7
    DEF 5818.73
    dimethyl isosorbide 2515.32
    tetrachloroethylene 5245.25
    eugenol 817.02
    triacetin 1741.49
    span 80 1121.57
    1,4-butanediol 246.47
    1,1-dichloroethane 10550.39
    2-methyl-1-pentanol 2173.68
    methyl formate 626.79
    2-methyl-1-butanol 2513.05
    n-decane 810.36
    butyronitrile 5633.13
    3,7-dimethyl-1-octanol 1680.46
    1-chlorooctane 2225.27
    1-chlorotetradecane 693.01
    n-nonane 1017.09
    undecane 495.06
    tert-butylcyclohexane 1257.58
    cyclooctane 2149.51
    cyclopentanol 1995.91
    tetrahydropyran 20151.57
    tert-amyl methyl ether 6341.96
    2,5,8-trioxanonane 2551.07
    1-hexene 11092.7
    2-isopropoxyethanol 1796.3
    2,2,2-trifluoroethanol 125.33
    methyl butyrate 6275.67

    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