Nonadiene

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  • Identifiers

    CAS number
    71030-52-9

    Molecular formula
    C9H16

    SMILES
    CCCCCC=CC=C

  • Odor profile

    Green 60.87%
    Herbal 51.33%
    Gassy 51.26%
    Citrus 47.29%
    Fatty 32.14%
    Fresh 30.97%
    Fruity 30.48%
    Oily 29.58%
    Fishy 27.37%
    Vegetable 26.53%

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  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.63 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point est.
    32.41 ˚C

  • Synonyms

    • Nonadiene
    • 1,3-Nonadiene
    • 71030-52-9
    • pentylbutadiene
    • non-diene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2366.08
    methanol 1244.47
    isopropanol 2409.44
    water 0.01
    ethyl acetate 4321.31
    n-propanol 2442.11
    acetone 3865.91
    n-butanol 3314.86
    acetonitrile 1531.03
    DMF 1610.76
    toluene 2655.82
    isobutanol 1914.4
    1,4-dioxane 5126.05
    methyl acetate 2158.36
    THF 10259.87
    2-butanone 3668.03
    n-pentanol 2271.21
    sec-butanol 2713.51
    n-hexane 6049.49
    ethylene glycol 105.92
    NMP 1311.22
    cyclohexane 6278.41
    DMSO 2740.95
    n-butyl acetate 9223.48
    n-octanol 1192.32
    chloroform 4462.68
    n-propyl acetate 2841.56
    acetic acid 706.9
    dichloromethane 4816.93
    cyclohexanone 4301.1
    propylene glycol 265.07
    isopropyl acetate 2775.94
    DMAc 1050.64
    2-ethoxyethanol 1322.9
    isopentanol 3024.44
    n-heptane 6554.61
    ethyl formate 1101.27
    1,2-dichloroethane 4160.53
    n-hexanol 5686.57
    2-methoxyethanol 1909.91
    isobutyl acetate 1644.44
    tetrachloromethane 1165.82
    n-pentyl acetate 2098.63
    transcutol 5553.78
    n-heptanol 1299.92
    ethylbenzene 1245.25
    MIBK 2512.82
    2-propoxyethanol 3766.2
    tert-butanol 3830.15
    MTBE 6671.72
    2-butoxyethanol 1334.16
    propionic acid 855.54
    o-xylene 1047.41
    formic acid 65.9
    diethyl ether 9973.83
    m-xylene 1468.09
    p-xylene 1211.91
    chlorobenzene 1705.02
    dimethyl carbonate 364.37
    n-octane 1210.48
    formamide 117.76
    cyclopentanone 3727.22
    2-pentanone 4566.44
    anisole 1358.1
    cyclopentyl methyl ether 5779.71
    gamma-butyrolactone 2313.67
    1-methoxy-2-propanol 2020.09
    pyridine 3604.25
    3-pentanone 2764.95
    furfural 1299.57
    n-dodecane 398.46
    diethylene glycol 872.77
    diisopropyl ether 3141.95
    tert-amyl alcohol 3174.13
    acetylacetone 2348.66
    n-hexadecane 468.19
    acetophenone 797.4
    methyl propionate 1968.94
    isopentyl acetate 5774.27
    trichloroethylene 4423.93
    n-nonanol 1039.58
    cyclohexanol 2863.98
    benzyl alcohol 675.97
    2-ethylhexanol 4774.82
    isooctanol 1053.56
    dipropyl ether 11463.28
    1,2-dichlorobenzene 1105.58
    ethyl lactate 405.12
    propylene carbonate 1283.42
    n-methylformamide 537.13
    2-pentanol 3200.63
    n-pentane 4299.34
    1-propoxy-2-propanol 4176.8
    1-methoxy-2-propyl acetate 3111.39
    2-(2-methoxypropoxy) propanol 890.05
    mesitylene 978.43
    ε-caprolactone 2966.33
    p-cymene 1343.55
    epichlorohydrin 3901.25
    1,1,1-trichloroethane 3986.5
    2-aminoethanol 329.15
    morpholine-4-carbaldehyde 1452.53
    sulfolane 2326.1
    2,2,4-trimethylpentane 948.34
    2-methyltetrahydrofuran 9300.6
    n-hexyl acetate 2479.19
    isooctane 994.95
    2-(2-butoxyethoxy)ethanol 1428.3
    sec-butyl acetate 1826.34
    tert-butyl acetate 2767.67
    decalin 1246.38
    glycerin 238.1
    diglyme 2933.0
    acrylic acid 414.04
    isopropyl myristate 907.13
    n-butyric acid 2434.32
    acetyl acetate 1329.8
    di(2-ethylhexyl) phthalate 412.75
    ethyl propionate 2142.18
    nitromethane 1076.85
    1,2-diethoxyethane 6780.11
    benzonitrile 1102.47
    trioctyl phosphate 407.93
    1-bromopropane 7101.76
    gamma-valerolactone 2773.26
    n-decanol 780.85
    triethyl phosphate 771.93
    4-methyl-2-pentanol 1585.22
    propionitrile 2050.89
    vinylene carbonate 837.65
    1,1,2-trichlorotrifluoroethane 1213.5
    DMS 786.71
    cumene 678.94
    2-octanol 927.33
    2-hexanone 3534.81
    octyl acetate 1004.79
    limonene 3137.88
    1,2-dimethoxyethane 4057.71
    ethyl orthosilicate 997.99
    tributyl phosphate 574.92
    diacetone alcohol 1698.65
    N,N-dimethylaniline 779.8
    acrylonitrile 1290.26
    aniline 1410.46
    1,3-propanediol 738.21
    bromobenzene 2218.83
    dibromomethane 4922.79
    1,1,2,2-tetrachloroethane 3647.51
    2-methyl-cyclohexyl acetate 1824.0
    tetrabutyl urea 719.09
    diisobutyl methanol 2207.48
    2-phenylethanol 1406.59
    styrene 1545.08
    dioctyl adipate 855.76
    dimethyl sulfate 410.88
    ethyl butyrate 4989.63
    methyl lactate 361.25
    butyl lactate 806.41
    diethyl carbonate 1750.47
    propanediol butyl ether 663.66
    triethyl orthoformate 2559.28
    p-tert-butyltoluene 1294.29
    methyl 4-tert-butylbenzoate 612.08
    morpholine 5922.76
    tert-butylamine 3736.27
    n-dodecanol 632.81
    dimethoxymethane 2348.44
    ethylene carbonate 919.99
    cyrene 455.88
    2-ethoxyethyl acetate 1842.38
    2-ethylhexyl acetate 5065.69
    1,2,4-trichlorobenzene 1113.44
    4-methylpyridine 3315.63
    dibutyl ether 5908.44
    2,6-dimethyl-4-heptanol 2207.48
    DEF 2874.07
    dimethyl isosorbide 1667.12
    tetrachloroethylene 2382.9
    eugenol 514.8
    triacetin 911.09
    span 80 991.55
    1,4-butanediol 233.87
    1,1-dichloroethane 4487.38
    2-methyl-1-pentanol 2019.24
    methyl formate 383.42
    2-methyl-1-butanol 2467.04
    n-decane 917.16
    butyronitrile 3578.75
    3,7-dimethyl-1-octanol 1643.85
    1-chlorooctane 1765.74
    1-chlorotetradecane 562.4
    n-nonane 1221.64
    undecane 565.58
    tert-butylcyclohexane 1143.4
    cyclooctane 2187.09
    cyclopentanol 2098.83
    tetrahydropyran 11265.91
    tert-amyl methyl ether 4095.51
    2,5,8-trioxanonane 1470.03
    1-hexene 9511.14
    2-isopropoxyethanol 1133.93
    2,2,2-trifluoroethanol 96.02
    methyl butyrate 2796.25

    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
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.3%