1-Phytene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    30221-44-4

    Molecular formula
    C20H40

    SMILES
    CC(C)CCCC(C)CCCC(C)CCCC(C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 59.13%
    Herbal 47.6%
    Oily 44.9%
    Green 42.83%
    Woody 38.96%
    Floral 38.77%
    Fresh 35.21%
    Balsamic 34.83%
    Citrus 31.58%
    Sweet 30.6%

     

    Flavor
    Delicate 22.96%
    Waxy 20.8%
    Oriental 20.02%
    Diterpene 19.77%
    Leathery 19.62%
    Low 19.59%
    Slightly waxy 19.33%
    Yeasty 19.32%
    Skunky 19.22%
    Terpentine 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    8.06 (weak base)

    Molecular weight
    280.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 142.16 ˚C est.

  • Synonyms

    • 1-Phytene
    • DTXSID70336166
    • RefChem:233317
    • DTXCID20287255
    • 3,7,11,15-tetramethylhexadec-1-ene
    • 30221-44-4
    • Vitamin K1 Impurity 52
    • SCHEMBL386233
    • SCHEMBL4227180
    • SCHEMBL4621141
    • 3,7,11,15-tetramethylhexadecene
    • 30221-44-4

  • Applications

    1-Phytene (CAS 30221-44-4) is primarily considered an organic intermediate in industrial chemical synthesis and may be used as a solvent or co-solvent in various formulations; it can also serve as a processing aid or carrier for polymer and rubber systems, supporting polymerization or blending processes; in coatings and inks, it may function as a solvent or solvent component for paint and ink systems; in cleaning and industrial sanitation formulations, it can act as a solvent or solubilizing agent for complex solvent systems; other applications may include serving as a feedstock for the synthesis of more complex organic compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 965.97
    methanol 207.99
    isopropanol 1459.42
    water 0.0
    ethyl acetate 3999.2
    n-propanol 1250.09
    acetone 1829.52
    n-butanol 2043.1
    acetonitrile 340.55
    DMF 521.91
    toluene 2523.32
    isobutanol 1246.4
    1,4-dioxane 4701.68
    methyl acetate 1296.5
    THF 9561.09
    2-butanone 2676.69
    n-pentanol 1487.26
    sec-butanol 2027.68
    n-hexane 5009.6
    ethylene glycol 9.32
    NMP 836.94
    cyclohexane 8134.28
    DMSO 686.06
    n-butyl acetate 7944.99
    n-octanol 1476.58
    chloroform 2961.01
    n-propyl acetate 3146.38
    acetic acid 219.54
    dichloromethane 2654.05
    cyclohexanone 4292.78
    propylene glycol 55.23
    isopropyl acetate 4102.32
    DMAc 924.42
    2-ethoxyethanol 1022.18
    isopentanol 2455.79
    n-heptane 8296.77
    ethyl formate 620.65
    1,2-dichloroethane 2374.0
    n-hexanol 3056.1
    2-methoxyethanol 906.13
    isobutyl acetate 2600.44
    tetrachloromethane 1092.64
    n-pentyl acetate 3616.32
    transcutol 6589.46
    n-heptanol 1491.32
    ethylbenzene 1602.05
    MIBK 3149.13
    2-propoxyethanol 2342.96
    tert-butanol 3002.7
    MTBE 9900.58
    2-butoxyethanol 1561.05
    propionic acid 336.17
    o-xylene 1454.17
    formic acid 11.81
    diethyl ether 9436.95
    m-xylene 1785.81
    p-xylene 1812.2
    chlorobenzene 1331.88
    dimethyl carbonate 217.95
    n-octane 1701.88
    formamide 26.31
    cyclopentanone 2791.85
    2-pentanone 3778.9
    anisole 1700.03
    cyclopentyl methyl ether 6758.02
    gamma-butyrolactone 1602.42
    1-methoxy-2-propanol 1283.2
    pyridine 2154.54
    3-pentanone 2461.13
    furfural 749.84
    n-dodecane 550.48
    diethylene glycol 343.68
    diisopropyl ether 5454.02
    tert-amyl alcohol 3009.32
    acetylacetone 2236.46
    n-hexadecane 674.38
    acetophenone 1108.94
    methyl propionate 1467.23
    isopentyl acetate 8010.71
    trichloroethylene 2433.39
    n-nonanol 1535.91
    cyclohexanol 2782.73
    benzyl alcohol 540.92
    2-ethylhexanol 4346.22
    isooctanol 1780.7
    dipropyl ether 14440.54
    1,2-dichlorobenzene 1114.37
    ethyl lactate 385.39
    propylene carbonate 1120.81
    n-methylformamide 139.77
    2-pentanol 2507.59
    n-pentane 3278.6
    1-propoxy-2-propanol 3695.04
    1-methoxy-2-propyl acetate 4228.03
    2-(2-methoxypropoxy) propanol 1400.68
    mesitylene 1459.54
    ε-caprolactone 3263.55
    p-cymene 2080.26
    epichlorohydrin 2834.84
    1,1,1-trichloroethane 3375.83
    2-aminoethanol 69.14
    morpholine-4-carbaldehyde 1198.54
    sulfolane 1415.98
    2,2,4-trimethylpentane 1472.06
    2-methyltetrahydrofuran 9565.9
    n-hexyl acetate 3969.11
    isooctane 1470.56
    2-(2-butoxyethoxy)ethanol 2139.32
    sec-butyl acetate 3521.71
    tert-butyl acetate 5666.04
    decalin 2110.08
    glycerin 57.59
    diglyme 4481.4
    acrylic acid 97.63
    isopropyl myristate 1966.98
    n-butyric acid 1597.43
    acetyl acetate 1368.01
    di(2-ethylhexyl) phthalate 633.04
    ethyl propionate 2600.6
    nitromethane 335.6
    1,2-diethoxyethane 8944.85
    benzonitrile 683.55
    trioctyl phosphate 676.83
    1-bromopropane 4320.36
    gamma-valerolactone 2481.79
    n-decanol 1102.77
    triethyl phosphate 1487.86
    4-methyl-2-pentanol 1817.06
    propionitrile 695.24
    vinylene carbonate 581.28
    1,1,2-trichlorotrifluoroethane 675.05
    DMS 911.71
    cumene 1180.02
    2-octanol 1420.44
    2-hexanone 3339.92
    octyl acetate 1839.59
    limonene 4643.37
    1,2-dimethoxyethane 3758.68
    ethyl orthosilicate 2100.82
    tributyl phosphate 848.3
    diacetone alcohol 2333.49
    N,N-dimethylaniline 1262.37
    acrylonitrile 303.67
    aniline 1075.89
    1,3-propanediol 319.38
    bromobenzene 1791.14
    dibromomethane 2703.12
    1,1,2,2-tetrachloroethane 2633.75
    2-methyl-cyclohexyl acetate 3500.21
    tetrabutyl urea 1130.59
    diisobutyl methanol 3408.89
    2-phenylethanol 1158.33
    styrene 1533.36
    dioctyl adipate 1648.97
    dimethyl sulfate 257.23
    ethyl butyrate 6955.51
    methyl lactate 222.16
    butyl lactate 1129.59
    diethyl carbonate 2574.53
    propanediol butyl ether 639.65
    triethyl orthoformate 5198.83
    p-tert-butyltoluene 2159.17
    methyl 4-tert-butylbenzoate 1337.84
    morpholine 5143.13
    tert-butylamine 3250.13
    n-dodecanol 872.69
    dimethoxymethane 1335.84
    ethylene carbonate 800.31
    cyrene 591.99
    2-ethoxyethyl acetate 3070.06
    2-ethylhexyl acetate 7134.85
    1,2,4-trichlorobenzene 1148.48
    4-methylpyridine 2505.58
    dibutyl ether 8622.5
    2,6-dimethyl-4-heptanol 3408.89
    DEF 2385.59
    dimethyl isosorbide 2459.67
    tetrachloroethylene 1449.27
    eugenol 741.16
    triacetin 1636.66
    span 80 1340.78
    1,4-butanediol 99.88
    1,1-dichloroethane 2815.92
    2-methyl-1-pentanol 1903.6
    methyl formate 95.81
    2-methyl-1-butanol 1996.9
    n-decane 1393.39
    butyronitrile 1704.13
    3,7-dimethyl-1-octanol 2423.72
    1-chlorooctane 2743.48
    1-chlorotetradecane 864.24
    n-nonane 1649.34
    undecane 818.41
    tert-butylcyclohexane 1938.33
    cyclooctane 3220.43
    cyclopentanol 1547.87
    tetrahydropyran 11769.43
    tert-amyl methyl ether 6168.02
    2,5,8-trioxanonane 2253.57
    1-hexene 6214.11
    2-isopropoxyethanol 1237.74
    2,2,2-trifluoroethanol 43.72
    methyl butyrate 2936.3

    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