1,2-Hexadecadiene, 3,7,11,15-tetramethyl-

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  • Identifiers

    CAS number
    2437-92-5

    Molecular formula
    C20H38

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 61.57%
    Herbal 54.35%
    Waxy 50.71%
    Citrus 46.88%
    Green 46.52%
    Woody 45.97%
    Sweet 43.8%
    Fresh 43.38%
    Oily 40.13%
    Balsamic 39.9%

     

    Flavor
    Woody 30.37%
    Herbal 25.7%
    Balsam 23.93%
    Delicate 23.23%
    Wood 22.75%
    Citrus 22.35%
    Diterpene 21.81%
    Low 21.56%
    Oriental 21.55%
    Opoponax 20.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    7.83 (neutral)

    Molecular weight
    278.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 130.71 ˚C est.

  • Synonyms

    • 2437-92-5
    • 1,2-Hexadecadiene, 3,7,11,15-tetramethyl-
    • 3,7,11,15-tetramethylhexadeca-1,2-diene
    • 3,7,11,15-TETRAMETHYL-1,2-HEXADECADIENE
    • SCHEMBL29350862
    • DTXSID30947232
    • QSDJIYUCUBTKOY-UHFFFAOYSA-N
    • 2437-92-5

  • Applications

    The chemical 1,2-Hexadecadiene, 3,7,11,15-tetramethyl- (CAS 2437-92-5) is a long-chain diene that is occasionally used as an odorant and fragrance intermediate; in perfumery and cosmetics it may function as a scent component or fixative, contributing to long-lasting accords; it can also serve as a building block or intermediate in fragrance synthesis and in specialty polymers or resins; in household products such as cleaners and air fresheners, it may be employed to influence aroma profiles; in coatings, inks, and related industrial formulations, it can act as a fragrance carrier or reactive modifier under appropriate formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 416.5
    methanol 121.48
    isopropanol 490.46
    water 0.0
    ethyl acetate 2257.56
    n-propanol 535.28
    acetone 863.9
    n-butanol 836.42
    acetonitrile 189.36
    DMF 245.15
    toluene 1434.31
    isobutanol 489.66
    1,4-dioxane 2616.03
    methyl acetate 722.16
    THF 5163.39
    2-butanone 1443.72
    n-pentanol 698.87
    sec-butanol 803.99
    n-hexane 1953.91
    ethylene glycol 4.41
    NMP 465.4
    cyclohexane 3246.73
    DMSO 326.4
    n-butyl acetate 4521.93
    n-octanol 622.49
    chloroform 1866.53
    n-propyl acetate 1800.76
    acetic acid 118.39
    dichloromethane 1701.62
    cyclohexanone 2430.94
    propylene glycol 24.45
    isopropyl acetate 2130.31
    DMAc 495.9
    2-ethoxyethanol 543.08
    isopentanol 1024.36
    n-heptane 3129.51
    ethyl formate 352.29
    1,2-dichloroethane 1403.58
    n-hexanol 1419.89
    2-methoxyethanol 452.37
    isobutyl acetate 1449.04
    tetrachloromethane 557.92
    n-pentyl acetate 1909.4
    transcutol 3914.18
    n-heptanol 627.85
    ethylbenzene 918.82
    MIBK 1603.86
    2-propoxyethanol 1177.74
    tert-butanol 1015.04
    MTBE 4256.93
    2-butoxyethanol 751.59
    propionic acid 168.52
    o-xylene 828.03
    formic acid 7.89
    diethyl ether 4701.01
    m-xylene 988.96
    p-xylene 1078.6
    chlorobenzene 825.84
    dimethyl carbonate 115.38
    n-octane 603.03
    formamide 16.37
    cyclopentanone 1454.79
    2-pentanone 1899.62
    anisole 1085.8
    cyclopentyl methyl ether 3346.9
    gamma-butyrolactone 874.24
    1-methoxy-2-propanol 573.78
    pyridine 1331.97
    3-pentanone 1373.95
    furfural 499.18
    n-dodecane 196.69
    diethylene glycol 180.08
    diisopropyl ether 2371.56
    tert-amyl alcohol 1187.9
    acetylacetone 1208.91
    n-hexadecane 245.92
    acetophenone 731.25
    methyl propionate 797.36
    isopentyl acetate 4512.0
    trichloroethylene 1536.42
    n-nonanol 679.77
    cyclohexanol 1199.96
    benzyl alcohol 331.06
    2-ethylhexanol 1992.26
    isooctanol 750.05
    dipropyl ether 7374.79
    1,2-dichlorobenzene 736.05
    ethyl lactate 215.81
    propylene carbonate 621.07
    n-methylformamide 73.65
    2-pentanol 969.01
    n-pentane 1179.32
    1-propoxy-2-propanol 1776.2
    1-methoxy-2-propyl acetate 2397.87
    2-(2-methoxypropoxy) propanol 815.43
    mesitylene 789.69
    ε-caprolactone 1915.84
    p-cymene 1064.58
    epichlorohydrin 1617.36
    1,1,1-trichloroethane 1816.59
    2-aminoethanol 33.56
    morpholine-4-carbaldehyde 681.63
    sulfolane 785.15
    2,2,4-trimethylpentane 538.47
    2-methyltetrahydrofuran 5075.41
    n-hexyl acetate 2103.46
    isooctane 489.11
    2-(2-butoxyethoxy)ethanol 1159.18
    sec-butyl acetate 1959.4
    tert-butyl acetate 2860.19
    decalin 890.03
    glycerin 27.08
    diglyme 2616.38
    acrylic acid 54.1
    isopropyl myristate 1014.24
    n-butyric acid 818.34
    acetyl acetate 831.92
    di(2-ethylhexyl) phthalate 384.06
    ethyl propionate 1448.49
    nitromethane 194.38
    1,2-diethoxyethane 5248.42
    benzonitrile 446.87
    trioctyl phosphate 328.27
    1-bromopropane 2369.69
    gamma-valerolactone 1475.96
    n-decanol 470.09
    triethyl phosphate 844.18
    4-methyl-2-pentanol 716.28
    propionitrile 377.64
    vinylene carbonate 358.0
    1,1,2-trichlorotrifluoroethane 397.99
    DMS 575.08
    cumene 640.98
    2-octanol 577.49
    2-hexanone 1939.57
    octyl acetate 936.1
    limonene 2226.77
    1,2-dimethoxyethane 2210.51
    ethyl orthosilicate 1136.23
    tributyl phosphate 447.17
    diacetone alcohol 1164.66
    N,N-dimethylaniline 744.53
    acrylonitrile 175.87
    aniline 585.86
    1,3-propanediol 136.86
    bromobenzene 1112.25
    dibromomethane 1591.03
    1,1,2,2-tetrachloroethane 1589.76
    2-methyl-cyclohexyl acetate 2038.64
    tetrabutyl urea 618.7
    diisobutyl methanol 1512.49
    2-phenylethanol 664.53
    styrene 912.4
    dioctyl adipate 968.1
    dimethyl sulfate 132.88
    ethyl butyrate 3913.97
    methyl lactate 116.75
    butyl lactate 599.43
    diethyl carbonate 1473.06
    propanediol butyl ether 322.66
    triethyl orthoformate 2886.17
    p-tert-butyltoluene 1070.4
    methyl 4-tert-butylbenzoate 801.84
    morpholine 2810.79
    tert-butylamine 1055.45
    n-dodecanol 359.53
    dimethoxymethane 645.6
    ethylene carbonate 458.35
    cyrene 359.91
    2-ethoxyethyl acetate 1827.85
    2-ethylhexyl acetate 3962.62
    1,2,4-trichlorobenzene 763.28
    4-methylpyridine 1508.49
    dibutyl ether 4204.59
    2,6-dimethyl-4-heptanol 1512.49
    DEF 1338.93
    dimethyl isosorbide 1530.25
    tetrachloroethylene 892.28
    eugenol 456.52
    triacetin 952.12
    span 80 708.69
    1,4-butanediol 47.16
    1,1-dichloroethane 1505.47
    2-methyl-1-pentanol 911.56
    methyl formate 55.46
    2-methyl-1-butanol 854.22
    n-decane 532.47
    butyronitrile 882.04
    3,7-dimethyl-1-octanol 1073.2
    1-chlorooctane 1203.39
    1-chlorotetradecane 362.05
    n-nonane 607.39
    undecane 297.52
    tert-butylcyclohexane 799.92
    cyclooctane 1244.04
    cyclopentanol 638.41
    tetrahydropyran 6505.37
    tert-amyl methyl ether 2847.51
    2,5,8-trioxanonane 1373.3
    1-hexene 3071.46
    2-isopropoxyethanol 626.81
    2,2,2-trifluoroethanol 23.11
    methyl butyrate 1674.04

    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