Undecylbenzene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6742-54-7

    Molecular formula
    C17H28

    SMILES
    CCCCCCCCCCCC1=CC=CC=C1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Waxy 70.91%
    Fatty 43.44%
    Oily 36.58%
    Sweet 27.24%
    Fishy 21.2%
    Gassy 20.06%
    Balsamic 19.8%
    Burnt 19.05%
    Meaty 18.25%
    Metallic 17.0%

    Scent© AI

  • Properties

    XLogP3-AA
    8.2

    Molecular weight
    232.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 23 °F (USCG, 1999)
    • -5 °C

    Boiling point

    • 601 °F at 760 mmHg (USCG, 1999)
    • 316 °C

    Flash point est.
    139.64 ˚C

    Flash point expt.

    • 285 °F (USCG, 1999)

  • Synonyms

    • UNDECYLBENZENE
    • 1-Phenylundecane
    • 6742-54-7
    • n-Undecylbenzene
    • Benzene, undecyl-
    • Undecanylbenzene
    • Undecane, 1-phenyl-
    • HSDB 5177
    • Phenylundecane
    • UNII-8C9LPO3Q9T
    • EINECS 229-806-2
    • 8C9LPO3Q9T
    • NSC 251008
    • DTXSID3029281
    • NSC-251008
    • UNDECYLBENZENE [HSDB]
    • DTXCID109281
    • 29463-63-6
    • Scintiverse BD cocktail
    • 1-Phenyl-undecane; NSC 251008; n-Undecylbenzene
    • nUndecylbenzene
    • undecyl-benzene
    • 1Phenylundecane
    • Benzene, undecyl
    • Undecane, 1phenyl
    • EINECS 267-051-0
    • MFCD00026549
    • 1-Phenylundecane, 99%
    • EC 267-051-0
    • Undecane, 1-phenyl-(8CI)
    • CHEMBL3182307
    • DTXSID10872311
    • Tox21_200115
    • NSC251008
    • AKOS015902390
    • NCGC00248531-01
    • NCGC00257669-01
    • BS-22721
    • CAS-6742-54-7
    • CS-0204316
    • NS00036124
    • U0010
    • D92748
    • Q27270180
    • 229-806-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1127.02
    methanol 427.09
    isopropanol 1304.54
    water 0.0
    ethyl acetate 6470.65
    n-propanol 1375.74
    acetone 6082.2
    n-butanol 1737.63
    acetonitrile 1424.83
    DMF 1988.17
    toluene 3642.66
    isobutanol 1177.8
    1,4-dioxane 7012.27
    methyl acetate 2975.62
    THF 12030.09
    2-butanone 5379.19
    n-pentanol 1219.5
    sec-butanol 1506.18
    n-hexane 3790.85
    ethylene glycol 24.62
    NMP 1734.2
    cyclohexane 7081.75
    DMSO 2647.34
    n-butyl acetate 10416.02
    n-octanol 769.3
    chloroform 6892.0
    n-propyl acetate 4979.27
    acetic acid 446.1
    dichloromethane 9227.69
    cyclohexanone 8472.45
    propylene glycol 85.54
    isopropyl acetate 4995.52
    DMAc 1977.53
    2-ethoxyethanol 1162.46
    isopentanol 1983.92
    n-heptane 4305.31
    ethyl formate 1431.92
    1,2-dichloroethane 9160.05
    n-hexanol 2398.0
    2-methoxyethanol 1338.11
    isobutyl acetate 3238.27
    tetrachloromethane 1905.91
    n-pentyl acetate 3280.68
    transcutol 6799.68
    n-heptanol 816.35
    ethylbenzene 1728.42
    MIBK 4137.28
    2-propoxyethanol 2368.61
    tert-butanol 2327.29
    MTBE 7790.82
    2-butoxyethanol 1174.77
    propionic acid 639.18
    o-xylene 1608.65
    formic acid 22.64
    diethyl ether 12763.52
    m-xylene 1812.27
    p-xylene 1899.02
    chlorobenzene 2887.78
    dimethyl carbonate 688.72
    n-octane 900.45
    formamide 66.11
    cyclopentanone 6060.79
    2-pentanone 6741.3
    anisole 2472.79
    cyclopentyl methyl ether 7387.29
    gamma-butyrolactone 3879.56
    1-methoxy-2-propanol 1408.49
    pyridine 5381.04
    3-pentanone 4763.81
    furfural 1839.87
    n-dodecane 322.31
    diethylene glycol 463.23
    diisopropyl ether 4350.0
    tert-amyl alcohol 1919.5
    acetylacetone 4466.26
    n-hexadecane 408.11
    acetophenone 1769.77
    methyl propionate 3049.48
    isopentyl acetate 8013.03
    trichloroethylene 8448.51
    n-nonanol 809.38
    cyclohexanol 2272.93
    benzyl alcohol 744.94
    2-ethylhexanol 2949.63
    isooctanol 961.71
    dipropyl ether 14894.47
    1,2-dichlorobenzene 2315.68
    ethyl lactate 570.61
    propylene carbonate 2206.17
    n-methylformamide 471.79
    2-pentanol 1791.99
    n-pentane 2294.02
    1-propoxy-2-propanol 3176.91
    1-methoxy-2-propyl acetate 4680.41
    2-(2-methoxypropoxy) propanol 1050.58
    mesitylene 1334.56
    ε-caprolactone 5034.87
    p-cymene 1556.62
    epichlorohydrin 6615.8
    1,1,1-trichloroethane 7416.21
    2-aminoethanol 120.84
    morpholine-4-carbaldehyde 2199.33
    sulfolane 3722.41
    2,2,4-trimethylpentane 698.63
    2-methyltetrahydrofuran 10244.57
    n-hexyl acetate 3069.48
    isooctane 661.5
    2-(2-butoxyethoxy)ethanol 1564.44
    sec-butyl acetate 3698.54
    tert-butyl acetate 5853.38
    decalin 1424.74
    glycerin 95.19
    diglyme 4449.12
    acrylic acid 278.72
    isopropyl myristate 1471.02
    n-butyric acid 2182.75
    acetyl acetate 2497.76
    di(2-ethylhexyl) phthalate 562.72
    ethyl propionate 4159.53
    nitromethane 1228.1
    1,2-diethoxyethane 11518.53
    benzonitrile 1378.8
    trioctyl phosphate 522.16
    1-bromopropane 9284.5
    gamma-valerolactone 4832.54
    n-decanol 597.05
    triethyl phosphate 1582.9
    4-methyl-2-pentanol 1167.58
    propionitrile 2068.7
    vinylene carbonate 1364.46
    1,1,2-trichlorotrifluoroethane 1627.56
    DMS 1518.26
    cumene 1017.02
    2-octanol 702.57
    2-hexanone 4871.83
    octyl acetate 1384.14
    limonene 3614.45
    1,2-dimethoxyethane 5646.24
    ethyl orthosilicate 1856.55
    tributyl phosphate 795.55
    diacetone alcohol 2406.15
    N,N-dimethylaniline 1390.09
    acrylonitrile 1260.83
    aniline 1627.13
    1,3-propanediol 368.71
    bromobenzene 4027.21
    dibromomethane 7713.26
    1,1,2,2-tetrachloroethane 7389.42
    2-methyl-cyclohexyl acetate 2791.49
    tetrabutyl urea 1120.12
    diisobutyl methanol 2106.34
    2-phenylethanol 1154.76
    styrene 2268.45
    dioctyl adipate 1503.98
    dimethyl sulfate 899.77
    ethyl butyrate 8635.64
    methyl lactate 391.48
    butyl lactate 1064.37
    diethyl carbonate 3465.59
    propanediol butyl ether 525.45
    triethyl orthoformate 4592.4
    p-tert-butyltoluene 1454.98
    methyl 4-tert-butylbenzoate 1232.17
    morpholine 7330.85
    tert-butylamine 2268.42
    n-dodecanol 490.88
    dimethoxymethane 3204.09
    ethylene carbonate 1791.14
    cyrene 614.52
    2-ethoxyethyl acetate 3343.97
    2-ethylhexyl acetate 6882.51
    1,2,4-trichlorobenzene 2320.61
    4-methylpyridine 4884.23
    dibutyl ether 7052.05
    2,6-dimethyl-4-heptanol 2106.34
    DEF 4966.93
    dimethyl isosorbide 2263.3
    tetrachloroethylene 4251.56
    eugenol 770.62
    triacetin 1750.7
    span 80 944.89
    1,4-butanediol 119.94
    1,1-dichloroethane 7621.93
    2-methyl-1-pentanol 1351.14
    methyl formate 396.98
    2-methyl-1-butanol 1571.95
    n-decane 765.18
    butyronitrile 3305.24
    3,7-dimethyl-1-octanol 1377.83
    1-chlorooctane 1978.58
    1-chlorotetradecane 654.41
    n-nonane 900.96
    undecane 461.27
    tert-butylcyclohexane 1135.98
    cyclooctane 2105.86
    cyclopentanol 1555.88
    tetrahydropyran 15551.28
    tert-amyl methyl ether 4638.34
    2,5,8-trioxanonane 2183.65
    1-hexene 6643.02
    2-isopropoxyethanol 1143.92
    2,2,2-trifluoroethanol 93.64
    methyl butyrate 5081.82

    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