Henicos-9-ene

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  • Identifiers

    CAS number
    39836-21-0

    Molecular formula
    C21H42

    SMILES
    CCCCCCCCCCCC=CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.97%
    Fatty 43.27%
    Oily 37.55%
    Gassy 20.5%
    Odorless 20.48%
    Sweet 19.51%
    Fishy 19.21%
    Meaty 18.09%
    Savory 15.1%
    Burnt 12.84%

     

    Flavor
    Alkane 48.06%
    Waxy 33.32%
    Bland 20.21%
    Delicate 19.81%
    Slightly waxy 19.78%
    Faint 18.69%
    Diterpene 18.66%
    Incense 18.59%
    Low 18.57%
    Oriental 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.7

    pKa est.
    8.02 (weak base)

    Molecular weight
    294.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 167.13 ˚C est.

  • Synonyms

    • Henicos-9-ene
    • cis-9-Heneicosene
    • 39836-21-0
    • SCHEMBL3681338
    • SCHEMBL3918139
    • SCHEMBL5984030
    • SCHEMBL25280650
    • DTXSID70403504
    • 39836-21-0

  • Applications

    Henicos-9-ene (CAS 39836-21-0) is a long-chain internal alkene that serves primarily as a chemical intermediate and building block in several industrial sectors. In practice, it may be used as a component in fragrance formulations as a non-polar diluent or fixative; in cosmetics and personal care as a formulation ingredient; as a feedstock for specialty polymers and plastics; as a processing aid or diluent in coatings and inks; and as a precursor for lubricant base oils or lubricant additives. Its exact use depends on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.86
    methanol 17.01
    isopropanol 96.66
    water 0.0
    ethyl acetate 952.17
    n-propanol 99.67
    acetone 425.55
    n-butanol 188.14
    acetonitrile 69.41
    DMF 237.21
    toluene 740.96
    isobutanol 137.86
    1,4-dioxane 1001.04
    methyl acetate 342.66
    THF 2736.99
    2-butanone 624.06
    n-pentanol 146.79
    sec-butanol 193.54
    n-hexane 973.35
    ethylene glycol 1.76
    NMP 746.93
    cyclohexane 3518.28
    DMSO 381.16
    n-butyl acetate 2247.06
    n-octanol 276.33
    chloroform 1437.86
    n-propyl acetate 1023.98
    acetic acid 57.52
    dichloromethane 1401.22
    cyclohexanone 1930.14
    propylene glycol 8.32
    isopropyl acetate 1187.35
    DMAc 541.24
    2-ethoxyethanol 154.68
    isopentanol 327.79
    n-heptane 2540.89
    ethyl formate 173.2
    1,2-dichloroethane 1323.5
    n-hexanol 337.77
    2-methoxyethanol 144.61
    isobutyl acetate 899.08
    tetrachloromethane 629.53
    n-pentyl acetate 1411.37
    transcutol 1487.83
    n-heptanol 263.21
    ethylbenzene 562.58
    MIBK 1085.23
    2-propoxyethanol 361.1
    tert-butanol 337.56
    MTBE 1362.29
    2-butoxyethanol 345.85
    propionic acid 91.75
    o-xylene 659.78
    formic acid 2.88
    diethyl ether 1398.87
    m-xylene 591.46
    p-xylene 750.76
    chlorobenzene 651.82
    dimethyl carbonate 123.17
    n-octane 586.55
    formamide 7.06
    cyclopentanone 1536.1
    2-pentanone 1035.83
    anisole 693.16
    cyclopentyl methyl ether 2383.67
    gamma-butyrolactone 985.71
    1-methoxy-2-propanol 228.88
    pyridine 766.82
    3-pentanone 945.29
    furfural 481.91
    n-dodecane 178.78
    diethylene glycol 62.83
    diisopropyl ether 1189.55
    tert-amyl alcohol 431.04
    acetylacetone 941.21
    n-hexadecane 230.64
    acetophenone 646.75
    methyl propionate 480.73
    isopentyl acetate 2138.78
    trichloroethylene 1658.01
    n-nonanol 329.18
    cyclohexanol 618.25
    benzyl alcohol 175.42
    2-ethylhexanol 791.29
    isooctanol 368.98
    dipropyl ether 3941.78
    1,2-dichlorobenzene 765.72
    ethyl lactate 177.61
    propylene carbonate 622.12
    n-methylformamide 42.24
    2-pentanol 307.12
    n-pentane 602.48
    1-propoxy-2-propanol 720.37
    1-methoxy-2-propyl acetate 1305.62
    2-(2-methoxypropoxy) propanol 429.06
    mesitylene 583.15
    ε-caprolactone 1403.3
    p-cymene 845.45
    epichlorohydrin 1245.95
    1,1,1-trichloroethane 2039.62
    2-aminoethanol 9.72
    morpholine-4-carbaldehyde 574.14
    sulfolane 1397.32
    2,2,4-trimethylpentane 387.67
    2-methyltetrahydrofuran 2524.0
    n-hexyl acetate 1314.38
    isooctane 325.31
    2-(2-butoxyethoxy)ethanol 526.43
    sec-butyl acetate 1161.07
    tert-butyl acetate 1875.55
    decalin 887.31
    glycerin 13.68
    diglyme 1514.42
    acrylic acid 42.51
    isopropyl myristate 773.06
    n-butyric acid 374.91
    acetyl acetate 558.61
    di(2-ethylhexyl) phthalate 271.82
    ethyl propionate 1019.45
    nitromethane 138.38
    1,2-diethoxyethane 2328.02
    benzonitrile 284.24
    trioctyl phosphate 263.96
    1-bromopropane 1574.95
    gamma-valerolactone 1173.34
    n-decanol 246.8
    triethyl phosphate 849.98
    4-methyl-2-pentanol 299.99
    propionitrile 166.34
    vinylene carbonate 330.68
    1,1,2-trichlorotrifluoroethane 427.9
    DMS 500.92
    cumene 456.96
    2-octanol 297.88
    2-hexanone 975.6
    octyl acetate 689.78
    limonene 1886.04
    1,2-dimethoxyethane 942.88
    ethyl orthosilicate 991.13
    tributyl phosphate 382.89
    diacetone alcohol 751.77
    N,N-dimethylaniline 605.03
    acrylonitrile 96.06
    aniline 305.82
    1,3-propanediol 38.74
    bromobenzene 1024.19
    dibromomethane 1226.57
    1,1,2,2-tetrachloroethane 1866.47
    2-methyl-cyclohexyl acetate 1445.58
    tetrabutyl urea 584.6
    diisobutyl methanol 915.88
    2-phenylethanol 269.91
    styrene 573.08
    dioctyl adipate 822.12
    dimethyl sulfate 244.91
    ethyl butyrate 2484.59
    methyl lactate 93.71
    butyl lactate 460.08
    diethyl carbonate 1106.97
    propanediol butyl ether 160.79
    triethyl orthoformate 2053.01
    p-tert-butyltoluene 815.88
    methyl 4-tert-butylbenzoate 732.55
    morpholine 1045.44
    tert-butylamine 404.7
    n-dodecanol 208.38
    dimethoxymethane 428.15
    ethylene carbonate 404.94
    cyrene 315.99
    2-ethoxyethyl acetate 1058.18
    2-ethylhexyl acetate 2135.84
    1,2,4-trichlorobenzene 808.16
    4-methylpyridine 823.39
    dibutyl ether 2556.62
    2,6-dimethyl-4-heptanol 915.88
    DEF 1043.4
    dimethyl isosorbide 1183.91
    tetrachloroethylene 1052.3
    eugenol 348.72
    triacetin 888.18
    span 80 442.85
    1,4-butanediol 15.29
    1,1-dichloroethane 1184.57
    2-methyl-1-pentanol 267.89
    methyl formate 41.46
    2-methyl-1-butanol 263.9
    n-decane 465.77
    butyronitrile 327.72
    3,7-dimethyl-1-octanol 560.68
    1-chlorooctane 944.73
    1-chlorotetradecane 345.58
    n-nonane 529.23
    undecane 264.24
    tert-butylcyclohexane 665.36
    cyclooctane 1335.26
    cyclopentanol 422.03
    tetrahydropyran 2757.57
    tert-amyl methyl ether 1358.64
    2,5,8-trioxanonane 869.55
    1-hexene 974.2
    2-isopropoxyethanol 218.84
    2,2,2-trifluoroethanol 21.48
    methyl butyrate 1185.94

    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