4-Nonene, 2,3,3-trimethyl-, (E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    63830-67-1

    Molecular formula
    C12H24

    SMILES
    CCCC/C=C/C(C)(C)C(C)C

  • Odor profile

    Herbal 59.23%
    Woody 50.64%
    Citrus 47.36%
    Fresh 42.19%
    Green 38.52%
    Terpenic 35.19%
    Pine 34.45%
    Oily 32.87%
    Spicy 32.08%
    Gassy 31.28%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    Molecular weight
    168.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    194°C

    Flash point est.
    66.06 ˚C

  • Synonyms

    • 63830-67-1
    • (E)?-2,?3,?3-Trimethyl-4-?nonene
    • 4-Nonene, 2,3,3-trimethyl-, (E)-
    • (E)-2,3,3-Trimethyl-4-nonene
    • PHLRMLKPHZLDKR-MDZDMXLPSA-N
    • (4E)-2,3,3-Trimethyl-4-nonene #
    • DB-299955

  • Applications

    4-Nonene, 2,3,3-trimethyl-, (E)- (CAS 63830-67-1) is a branched internal C12 olefin used primarily as a versatile intermediate in petrochemical and fine-chemical workflows: as an alkylation feed to make branched alkylbenzenes/alkylphenols for specialty surfactants and lubricant additives; as a substrate for oxo (hydroformylation) chemistry to give branched C13 aldehydes/alcohols employed in plasticizers, surfactants, and functional esters; in epoxidation, hydroboration, and selective oxidations to introduce a branched hydrocarbon motif into fragrance/cosmetic intermediates and high-performance materials; after hydrogenation to the corresponding isoparaffin it can serve as a low-toxicity synthetic drilling-fluid base stock and niche base oil; and as a model compound in catalysis research (isomerization, selective hydrogenation, metathesis) and process optimization for internal-olefin upgrading.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 533.32
    methanol 179.75
    isopropanol 699.02
    water 0.03
    ethyl acetate 1728.8
    n-propanol 668.52
    acetone 840.24
    n-butanol 1011.86
    acetonitrile 452.42
    DMF 492.14
    toluene 1737.77
    isobutanol 674.1
    1,4-dioxane 2329.97
    methyl acetate 884.38
    THF 3929.19
    2-butanone 1314.43
    n-pentanol 720.02
    sec-butanol 982.21
    n-hexane 3257.92
    ethylene glycol 21.83
    NMP 626.5
    cyclohexane 3326.76
    DMSO 398.67
    n-butyl acetate 3812.96
    n-octanol 1032.3
    chloroform 2131.16
    n-propyl acetate 1124.77
    acetic acid 169.04
    dichloromethane 1452.2
    cyclohexanone 1953.0
    propylene glycol 83.1
    isopropyl acetate 1632.66
    DMAc 689.81
    2-ethoxyethanol 517.19
    isopentanol 1236.18
    n-heptane 3688.74
    ethyl formate 381.96
    1,2-dichloroethane 1327.48
    n-hexanol 2477.69
    2-methoxyethanol 542.66
    isobutyl acetate 1065.17
    tetrachloromethane 806.85
    n-pentyl acetate 1315.49
    transcutol 2961.46
    n-heptanol 1004.48
    ethylbenzene 1193.67
    MIBK 1417.11
    2-propoxyethanol 1578.33
    tert-butanol 1550.28
    MTBE 4474.45
    2-butoxyethanol 894.98
    propionic acid 264.4
    o-xylene 1158.9
    formic acid 15.66
    diethyl ether 3667.48
    m-xylene 1354.92
    p-xylene 1330.2
    chlorobenzene 1088.94
    dimethyl carbonate 203.82
    n-octane 1076.12
    formamide 34.05
    cyclopentanone 1406.2
    2-pentanone 1504.88
    anisole 1286.67
    cyclopentyl methyl ether 2772.81
    gamma-butyrolactone 887.7
    1-methoxy-2-propanol 769.57
    pyridine 1499.93
    3-pentanone 1278.0
    furfural 637.78
    n-dodecane 482.95
    diethylene glycol 335.48
    diisopropyl ether 2337.55
    tert-amyl alcohol 1792.23
    acetylacetone 1053.09
    n-hexadecane 560.97
    acetophenone 738.37
    methyl propionate 873.83
    isopentyl acetate 3723.6
    trichloroethylene 1717.37
    n-nonanol 1039.68
    cyclohexanol 1313.54
    benzyl alcohol 423.15
    2-ethylhexanol 2823.53
    isooctanol 1007.67
    dipropyl ether 5308.91
    1,2-dichlorobenzene 977.71
    ethyl lactate 256.72
    propylene carbonate 677.29
    n-methylformamide 148.49
    2-pentanol 1206.65
    n-pentane 2001.03
    1-propoxy-2-propanol 1937.16
    1-methoxy-2-propyl acetate 2056.26
    2-(2-methoxypropoxy) propanol 1006.6
    mesitylene 1188.52
    ε-caprolactone 1558.69
    p-cymene 1432.9
    epichlorohydrin 1571.59
    1,1,1-trichloroethane 2172.19
    2-aminoethanol 89.76
    morpholine-4-carbaldehyde 846.53
    sulfolane 902.65
    2,2,4-trimethylpentane 1165.57
    2-methyltetrahydrofuran 3735.43
    n-hexyl acetate 1899.19
    isooctane 1110.94
    2-(2-butoxyethoxy)ethanol 1321.4
    sec-butyl acetate 1296.6
    tert-butyl acetate 2235.96
    decalin 1509.42
    glycerin 82.79
    diglyme 2112.6
    acrylic acid 127.64
    isopropyl myristate 1065.18
    n-butyric acid 811.11
    acetyl acetate 760.13
    di(2-ethylhexyl) phthalate 532.02
    ethyl propionate 1184.15
    nitromethane 256.59
    1,2-diethoxyethane 3300.43
    benzonitrile 654.42
    trioctyl phosphate 482.4
    1-bromopropane 2381.0
    gamma-valerolactone 1355.15
    n-decanol 823.9
    triethyl phosphate 787.87
    4-methyl-2-pentanol 1102.11
    propionitrile 785.56
    vinylene carbonate 467.61
    1,1,2-trichlorotrifluoroethane 527.77
    DMS 687.81
    cumene 933.1
    2-octanol 860.9
    2-hexanone 1443.59
    octyl acetate 1073.08
    limonene 2785.27
    1,2-dimethoxyethane 1670.03
    ethyl orthosilicate 1006.82
    tributyl phosphate 611.88
    diacetone alcohol 1154.98
    N,N-dimethylaniline 959.47
    acrylonitrile 466.8
    aniline 834.54
    1,3-propanediol 248.01
    bromobenzene 1469.14
    dibromomethane 1519.33
    1,1,2,2-tetrachloroethane 1832.15
    2-methyl-cyclohexyl acetate 1770.15
    tetrabutyl urea 696.86
    diisobutyl methanol 1793.46
    2-phenylethanol 995.73
    styrene 1214.78
    dioctyl adipate 992.26
    dimethyl sulfate 235.93
    ethyl butyrate 2519.14
    methyl lactate 199.13
    butyl lactate 591.12
    diethyl carbonate 1233.59
    propanediol butyl ether 529.37
    triethyl orthoformate 2026.31
    p-tert-butyltoluene 1506.46
    methyl 4-tert-butylbenzoate 993.84
    morpholine 2460.95
    tert-butylamine 1935.36
    n-dodecanol 701.4
    dimethoxymethane 803.38
    ethylene carbonate 530.13
    cyrene 462.68
    2-ethoxyethyl acetate 1242.49
    2-ethylhexyl acetate 3622.16
    1,2,4-trichlorobenzene 1024.77
    4-methylpyridine 1704.68
    dibutyl ether 3449.98
    2,6-dimethyl-4-heptanol 1793.46
    DEF 1232.05
    dimethyl isosorbide 1613.9
    tetrachloroethylene 1105.1
    eugenol 632.27
    triacetin 968.12
    span 80 1017.03
    1,4-butanediol 87.01
    1,1-dichloroethane 1672.09
    2-methyl-1-pentanol 1011.48
    methyl formate 102.7
    2-methyl-1-butanol 1101.82
    n-decane 924.89
    butyronitrile 1207.98
    3,7-dimethyl-1-octanol 1572.98
    1-chlorooctane 1645.71
    1-chlorotetradecane 701.11
    n-nonane 1087.08
    undecane 637.14
    tert-butylcyclohexane 1428.67
    cyclooctane 1804.16
    cyclopentanol 805.83
    tetrahydropyran 4229.08
    tert-amyl methyl ether 3290.01
    2,5,8-trioxanonane 1334.89
    1-hexene 3689.4
    2-isopropoxyethanol 613.95
    2,2,2-trifluoroethanol 43.44
    methyl butyrate 1241.38

    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
Ziziphora tenuior (Turkey) Ziziphora tenuior L.(Z.acutifolia Montbret & Aucher ex Bentham), Lamiaceae 0.11%