Heneicosene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1599-68-4

    Molecular formula
    C21H42

    SMILES
    CCCCCCCCCCCCCCCCCCCC=C

    Retention indicies (RI)

    • DB5: 2095.0

  • Odor profile

    Fragrance
    Waxy 74.73%
    Fatty 44.06%
    Oily 34.92%
    Sweet 25.58%
    Meaty 21.91%
    Gassy 21.6%
    Fishy 21.2%
    Odorless 20.25%
    Savory 16.82%
    Clean 16.17%

     

    Flavor
    Alkane 48.0%
    Waxy 43.28%
    Bland 21.48%
    Slightly waxy 21.4%
    Delicate 21.16%
    Incense 20.34%
    Citrus peel 20.2%
    Mild 20.03%
    Grapefruit peel 19.77%
    Low 19.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.6

    pKa est.
    7.79 (neutral)

    Molecular weight
    294.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 170.3 ˚C est.

  • Synonyms

    • 1-Heneicosene
    • Henicosene
    • henicos-1-ene
    • Heneicosene
    • 27400-79-9
    • 1599-68-4
    • 1RU0UO26IU
    • UNII-1RU0UO26IU
    • Heneicosene-
    • EINECS 248-443-0
    • DTXSID10950087
    • LMFA11000315
    • NS00050327
    • Q27252803

  • Applications

    Heneicosene (CAS 1599-68-4) is a long-chain olefin used primarily in fragrance and cosmetics, typically as a fragrance ingredient and fixative in perfumes; it is also considered as a fragrance component in cosmetics and personal care; it may appear in household cleaning products as a fragrance ingredient; it is used as an additive or processing aid in coatings, paints, inks, and polymer formulations; it serves as a precursor or intermediate for the synthesis of longer-chain fragrance molecules in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.56
    methanol 10.98
    isopropanol 63.94
    water 0.0
    ethyl acetate 639.44
    n-propanol 66.45
    acetone 285.59
    n-butanol 121.59
    acetonitrile 45.99
    DMF 199.91
    toluene 453.52
    isobutanol 98.16
    1,4-dioxane 667.59
    methyl acetate 244.29
    THF 2116.48
    2-butanone 431.57
    n-pentanol 98.52
    sec-butanol 130.45
    n-hexane 539.2
    ethylene glycol 1.26
    NMP 687.72
    cyclohexane 2245.48
    DMSO 291.15
    n-butyl acetate 1528.78
    n-octanol 200.46
    chloroform 1073.71
    n-propyl acetate 751.25
    acetic acid 43.38
    dichloromethane 1032.99
    cyclohexanone 1464.48
    propylene glycol 6.22
    isopropyl acetate 848.61
    DMAc 450.81
    2-ethoxyethanol 113.08
    isopentanol 214.53
    n-heptane 1623.65
    ethyl formate 137.42
    1,2-dichloroethane 932.34
    n-hexanol 218.98
    2-methoxyethanol 106.98
    isobutyl acetate 652.98
    tetrachloromethane 479.52
    n-pentyl acetate 1059.67
    transcutol 1084.0
    n-heptanol 187.57
    ethylbenzene 369.82
    MIBK 765.28
    2-propoxyethanol 259.8
    tert-butanol 237.55
    MTBE 848.41
    2-butoxyethanol 261.99
    propionic acid 70.23
    o-xylene 436.69
    formic acid 2.48
    diethyl ether 804.02
    m-xylene 390.15
    p-xylene 501.11
    chlorobenzene 477.64
    dimethyl carbonate 98.98
    n-octane 375.01
    formamide 6.25
    cyclopentanone 1284.36
    2-pentanone 699.19
    anisole 493.63
    cyclopentyl methyl ether 1766.96
    gamma-butyrolactone 872.76
    1-methoxy-2-propanol 174.36
    pyridine 536.79
    3-pentanone 643.33
    furfural 429.34
    n-dodecane 112.11
    diethylene glycol 47.1
    diisopropyl ether 737.58
    tert-amyl alcohol 303.53
    acetylacetone 705.72
    n-hexadecane 144.69
    acetophenone 496.05
    methyl propionate 349.54
    isopentyl acetate 1502.87
    trichloroethylene 1238.14
    n-nonanol 239.36
    cyclohexanol 434.23
    benzyl alcohol 131.47
    2-ethylhexanol 529.32
    isooctanol 264.58
    dipropyl ether 2622.92
    1,2-dichlorobenzene 597.12
    ethyl lactate 147.77
    propylene carbonate 559.83
    n-methylformamide 34.98
    2-pentanol 202.68
    n-pentane 334.8
    1-propoxy-2-propanol 545.73
    1-methoxy-2-propyl acetate 989.63
    2-(2-methoxypropoxy) propanol 331.41
    mesitylene 406.53
    ε-caprolactone 1107.3
    p-cymene 594.26
    epichlorohydrin 988.74
    1,1,1-trichloroethane 1476.91
    2-aminoethanol 7.32
    morpholine-4-carbaldehyde 478.21
    sulfolane 1288.81
    2,2,4-trimethylpentane 249.38
    2-methyltetrahydrofuran 1829.09
    n-hexyl acetate 955.85
    isooctane 213.59
    2-(2-butoxyethoxy)ethanol 393.95
    sec-butyl acetate 833.61
    tert-butyl acetate 1336.29
    decalin 566.28
    glycerin 10.51
    diglyme 1124.36
    acrylic acid 34.54
    isopropyl myristate 571.33
    n-butyric acid 270.97
    acetyl acetate 394.2
    di(2-ethylhexyl) phthalate 207.35
    ethyl propionate 755.8
    nitromethane 107.32
    1,2-diethoxyethane 1533.82
    benzonitrile 214.79
    trioctyl phosphate 200.36
    1-bromopropane 1059.61
    gamma-valerolactone 967.82
    n-decanol 170.25
    triethyl phosphate 682.75
    4-methyl-2-pentanol 211.96
    propionitrile 115.75
    vinylene carbonate 284.55
    1,1,2-trichlorotrifluoroethane 368.49
    DMS 389.62
    cumene 313.09
    2-octanol 219.38
    2-hexanone 681.99
    octyl acetate 495.41
    limonene 1291.37
    1,2-dimethoxyethane 678.5
    ethyl orthosilicate 770.96
    tributyl phosphate 295.03
    diacetone alcohol 596.43
    N,N-dimethylaniline 441.69
    acrylonitrile 70.7
    aniline 214.79
    1,3-propanediol 28.09
    bromobenzene 723.68
    dibromomethane 885.58
    1,1,2,2-tetrachloroethane 1437.04
    2-methyl-cyclohexyl acetate 1095.78
    tetrabutyl urea 438.55
    diisobutyl methanol 666.52
    2-phenylethanol 201.11
    styrene 374.92
    dioctyl adipate 622.49
    dimethyl sulfate 212.15
    ethyl butyrate 1767.88
    methyl lactate 80.15
    butyl lactate 387.09
    diethyl carbonate 814.33
    propanediol butyl ether 127.72
    triethyl orthoformate 1518.66
    p-tert-butyltoluene 586.59
    methyl 4-tert-butylbenzoate 591.35
    morpholine 710.26
    tert-butylamine 270.19
    n-dodecanol 140.2
    dimethoxymethane 311.91
    ethylene carbonate 346.65
    cyrene 276.92
    2-ethoxyethyl acetate 787.49
    2-ethylhexyl acetate 1490.78
    1,2,4-trichlorobenzene 621.95
    4-methylpyridine 585.77
    dibutyl ether 1677.99
    2,6-dimethyl-4-heptanol 666.52
    DEF 757.84
    dimethyl isosorbide 1024.52
    tetrachloroethylene 808.79
    eugenol 283.16
    triacetin 681.82
    span 80 343.09
    1,4-butanediol 11.13
    1,1-dichloroethane 855.41
    2-methyl-1-pentanol 176.3
    methyl formate 34.93
    2-methyl-1-butanol 176.17
    n-decane 297.68
    butyronitrile 217.9
    3,7-dimethyl-1-octanol 395.11
    1-chlorooctane 661.51
    1-chlorotetradecane 232.73
    n-nonane 337.92
    undecane 167.58
    tert-butylcyclohexane 429.67
    cyclooctane 838.54
    cyclopentanol 336.12
    tetrahydropyran 1797.87
    tert-amyl methyl ether 864.23
    2,5,8-trioxanonane 665.85
    1-hexene 566.43
    2-isopropoxyethanol 162.16
    2,2,2-trifluoroethanol 19.3
    methyl butyrate 897.02

    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
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.05%