3-Phenylpentane

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  • Identifiers

    CAS number
    1196-58-3

    Molecular formula
    C11H16

    SMILES
    CCC(CC)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Herbal 46.68%
    Green 44.67%
    Spicy 38.08%
    Woody 36.69%
    Fresh 31.95%
    Earthy 30.04%
    Citrus 28.89%
    Floral 27.74%
    Sweet 27.3%
    Oily 25.56%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.39 (weak base)

    Molecular weight
    148.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point est.
    68.71 ˚C

  • Synonyms

    • (1-Ethylpropyl)benzene
    • 1196-58-3
    • 3-PHENYLPENTANE
    • Benzene, (1-ethylpropyl)-
    • pentan-3-ylbenzene
    • RX6MN973H3
    • (3-AMYL)BENZENE
    • NSC 98354
    • NSC-98354
    • (1-ethyl-propyl)-benzene
    • 3-phenyl-pentane
    • NSC98354
    • 1-ethylpropylbenzene
    • MFCD00048663
    • Benzene, (1-ethylpropyl)- (8CI)(9CI)
    • UNII-RX6MN973H3
    • DTXSID70152520
    • CHEBI:167085
    • AKOS017343211
    • CS-0335049
    • E0305
    • NS00095916
    • T71625
    • 621-440-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1637.31
    methanol 755.25
    isopropanol 1457.55
    water 0.04
    ethyl acetate 3402.98
    n-propanol 1706.27
    acetone 4469.95
    n-butanol 1781.29
    acetonitrile 3349.23
    DMF 2583.69
    toluene 2655.01
    isobutanol 1288.0
    1,4-dioxane 5724.13
    methyl acetate 2875.22
    THF 7712.12
    2-butanone 3583.91
    n-pentanol 1004.97
    sec-butanol 1282.48
    n-hexane 1981.85
    ethylene glycol 67.64
    NMP 2362.4
    cyclohexane 3266.61
    DMSO 2350.63
    n-butyl acetate 7443.17
    n-octanol 930.01
    chloroform 6742.53
    n-propyl acetate 2334.36
    acetic acid 740.15
    dichloromethane 9311.4
    cyclohexanone 6075.15
    propylene glycol 126.61
    isopropyl acetate 1693.22
    DMAc 1294.69
    2-ethoxyethanol 748.51
    isopentanol 1271.08
    n-heptane 3031.85
    ethyl formate 2065.05
    1,2-dichloroethane 6857.14
    n-hexanol 3040.51
    2-methoxyethanol 1237.77
    isobutyl acetate 1281.17
    tetrachloromethane 1935.97
    n-pentyl acetate 1793.78
    transcutol 2559.75
    n-heptanol 918.09
    ethylbenzene 1170.16
    MIBK 1521.87
    2-propoxyethanol 2263.34
    tert-butanol 1648.96
    MTBE 3008.84
    2-butoxyethanol 880.78
    propionic acid 901.14
    o-xylene 1075.42
    formic acid 54.25
    diethyl ether 5444.38
    m-xylene 1330.25
    p-xylene 1300.56
    chlorobenzene 3004.48
    dimethyl carbonate 625.09
    n-octane 735.24
    formamide 177.72
    cyclopentanone 5415.84
    2-pentanone 3260.65
    anisole 1505.89
    cyclopentyl methyl ether 3875.75
    gamma-butyrolactone 4386.23
    1-methoxy-2-propanol 980.26
    pyridine 4711.01
    3-pentanone 2706.81
    furfural 2143.28
    n-dodecane 346.88
    diethylene glycol 529.75
    diisopropyl ether 1344.97
    tert-amyl alcohol 1137.5
    acetylacetone 2108.95
    n-hexadecane 411.63
    acetophenone 1063.0
    methyl propionate 2106.84
    isopentyl acetate 4110.29
    trichloroethylene 7504.89
    n-nonanol 772.04
    cyclohexanol 2132.41
    benzyl alcohol 647.14
    2-ethylhexanol 2374.58
    isooctanol 690.67
    dipropyl ether 6393.27
    1,2-dichlorobenzene 2141.67
    ethyl lactate 351.44
    propylene carbonate 2525.84
    n-methylformamide 1039.82
    2-pentanol 1251.71
    n-pentane 1492.1
    1-propoxy-2-propanol 2100.24
    1-methoxy-2-propyl acetate 2270.71
    2-(2-methoxypropoxy) propanol 607.36
    mesitylene 843.6
    ε-caprolactone 3669.19
    p-cymene 1157.76
    epichlorohydrin 5548.71
    1,1,1-trichloroethane 5453.14
    2-aminoethanol 206.55
    morpholine-4-carbaldehyde 2016.38
    sulfolane 3619.05
    2,2,4-trimethylpentane 369.13
    2-methyltetrahydrofuran 6287.3
    n-hexyl acetate 2179.24
    isooctane 360.56
    2-(2-butoxyethoxy)ethanol 929.66
    sec-butyl acetate 1159.49
    tert-butyl acetate 1644.3
    decalin 729.52
    glycerin 120.49
    diglyme 2332.81
    acrylic acid 506.88
    isopropyl myristate 899.09
    n-butyric acid 1819.85
    acetyl acetate 1323.86
    di(2-ethylhexyl) phthalate 446.11
    ethyl propionate 1785.58
    nitromethane 1807.66
    1,2-diethoxyethane 3921.84
    benzonitrile 1710.05
    trioctyl phosphate 441.11
    1-bromopropane 6289.49
    gamma-valerolactone 3863.92
    n-decanol 589.53
    triethyl phosphate 714.5
    4-methyl-2-pentanol 571.35
    propionitrile 3085.55
    vinylene carbonate 1930.38
    1,1,2-trichlorotrifluoroethane 1170.35
    DMS 996.72
    cumene 665.61
    2-octanol 674.76
    2-hexanone 2459.89
    octyl acetate 1018.15
    limonene 2276.43
    1,2-dimethoxyethane 3003.13
    ethyl orthosilicate 769.34
    tributyl phosphate 607.27
    diacetone alcohol 986.45
    N,N-dimethylaniline 831.03
    acrylonitrile 2397.97
    aniline 1451.52
    1,3-propanediol 491.45
    bromobenzene 3781.64
    dibromomethane 7660.58
    1,1,2,2-tetrachloroethane 5016.31
    2-methyl-cyclohexyl acetate 1411.77
    tetrabutyl urea 808.65
    diisobutyl methanol 1083.92
    2-phenylethanol 1090.57
    styrene 1692.59
    dioctyl adipate 924.28
    dimethyl sulfate 705.34
    ethyl butyrate 3698.39
    methyl lactate 331.75
    butyl lactate 684.59
    diethyl carbonate 1667.77
    propanediol butyl ether 497.19
    triethyl orthoformate 1802.28
    p-tert-butyltoluene 1028.67
    methyl 4-tert-butylbenzoate 747.26
    morpholine 5582.93
    tert-butylamine 1433.59
    n-dodecanol 498.88
    dimethoxymethane 2368.99
    ethylene carbonate 2052.72
    cyrene 469.9
    2-ethoxyethyl acetate 1639.25
    2-ethylhexyl acetate 3641.6
    1,2,4-trichlorobenzene 1889.1
    4-methylpyridine 4165.41
    dibutyl ether 3346.11
    2,6-dimethyl-4-heptanol 1083.92
    DEF 2817.21
    dimethyl isosorbide 1513.21
    tetrachloroethylene 3332.71
    eugenol 567.22
    triacetin 908.32
    span 80 675.07
    1,4-butanediol 166.91
    1,1-dichloroethane 6462.71
    2-methyl-1-pentanol 798.54
    methyl formate 1018.45
    2-methyl-1-butanol 1251.58
    n-decane 629.74
    butyronitrile 3927.07
    3,7-dimethyl-1-octanol 897.84
    1-chlorooctane 1593.5
    1-chlorotetradecane 606.22
    n-nonane 803.15
    undecane 448.78
    tert-butylcyclohexane 603.36
    cyclooctane 1138.25
    cyclopentanol 1917.51
    tetrahydropyran 8875.69
    tert-amyl methyl ether 1721.19
    2,5,8-trioxanonane 1166.13
    1-hexene 3869.25
    2-isopropoxyethanol 616.57
    2,2,2-trifluoroethanol 164.76
    methyl butyrate 2601.92

    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

Botanical

Name CAS Botanical Proportion
Amomum tsao-ko (China) 2 Amomum tsao-ko Crevost et Lemiare, fam. Zingiberaceae 6.27%