3-Methylene-1,5,5-trimethylcyclohexene

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  • Identifiers

    CAS number
    16609-28-2

    Molecular formula
    C10H16

    SMILES
    CC1=CC(=C)CC(C1)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.09%
    Sweet 54.71%
    Green 51.98%
    Spicy 45.85%
    Fruity 45.83%
    Tobacco 45.08%
    Citrus 42.67%
    Herbal 42.65%
    Camphoreous 40.74%
    Mint 39.01%

     

    Flavor
    Woody 70.59%
    Fruity 46.69%
    Green 45.42%
    Sweet 40.31%
    Tobacco 37.38%
    Camphor 36.55%
    Wood 35.77%
    Earthy 33.71%
    Musty 33.0%
    Dry 31.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.99 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 44.23 ˚C est.

  • Synonyms

    • 3-Methylene-1,5,5-trimethylcyclohexene
    • 16609-28-2
    • Cyclohexene, 1,5,5-trimethyl-3-methylene-
    • DTXSID60168074
    • RefChem:94885
    • DTXCID3090565
    • ZKXYHQFGFMZPPJ-UHFFFAOYSA-N
    • 1,5,5-trimethyl-3-methylidenecyclohexene
    • 3-METHYLENE 1,5,5-TRIMETHYL CYCLOHEXENE-1
    • 1,5,5-trimethyl-3-methylidenecyclohex-1-ene
    • 3-methylene-1,5,5-trimethyl cyclohexene
    • SCHEMBL3079432
    • CHEBI:90015
    • methylidene 1,5,5trimethylcyclohexene
    • AKOS006273220
    • DB-043641
    • 1,5,5-Trimethyl-3-methylene-1-cyclohexene #
    • Q27162240
    • 16609-28-2

  • Applications

    3-Methylene-1,5,5-trimethylcyclohexene (CAS 16609-28-2) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a building block for aroma compounds and enabling development of new perfumery notes. It is also employed in cosmetics and personal care formulations as a fragrance ingredient or aroma precursor, and in household products to contribute scent profiles. In polymers and plastics, it can serve as a reactive intermediate or monomer precursor for specialty polymers and crosslinking agents. In coatings and inks, it may be used as a fragrance additive or reactive diluent in certain formulations. Additionally, it is sometimes evaluated as a precursor for fragrance-related derivatives in various industrial manufacturing contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1286.63
    methanol 1178.07
    isopropanol 1075.22
    water 1.26
    ethyl acetate 1490.69
    n-propanol 1213.32
    acetone 1257.8
    n-butanol 1476.71
    acetonitrile 819.93
    DMF 842.55
    toluene 1108.01
    isobutanol 1064.15
    1,4-dioxane 2035.84
    methyl acetate 1173.17
    THF 3803.34
    2-butanone 1392.49
    n-pentanol 1033.92
    sec-butanol 1246.2
    n-hexane 1550.0
    ethylene glycol 153.46
    NMP 1350.4
    cyclohexane 1709.74
    DMSO 594.94
    n-butyl acetate 2121.6
    n-octanol 1220.57
    chloroform 1694.28
    n-propyl acetate 811.91
    acetic acid 715.25
    dichloromethane 1266.72
    cyclohexanone 1976.38
    propylene glycol 287.52
    isopropyl acetate 1150.69
    DMAc 852.97
    2-ethoxyethanol 726.89
    isopentanol 1424.64
    n-heptane 1803.9
    ethyl formate 687.94
    1,2-dichloroethane 1004.01
    n-hexanol 3335.4
    2-methoxyethanol 1128.02
    isobutyl acetate 655.89
    tetrachloromethane 518.58
    n-pentyl acetate 899.87
    transcutol 1852.4
    n-heptanol 1048.93
    ethylbenzene 545.28
    MIBK 1196.03
    2-propoxyethanol 2175.45
    tert-butanol 1556.79
    MTBE 2285.89
    2-butoxyethanol 887.0
    propionic acid 688.11
    o-xylene 645.31
    formic acid 192.39
    diethyl ether 2590.6
    m-xylene 934.43
    p-xylene 579.44
    chlorobenzene 815.45
    dimethyl carbonate 368.99
    n-octane 481.43
    formamide 171.87
    cyclopentanone 1781.29
    2-pentanone 1546.32
    anisole 640.36
    cyclopentyl methyl ether 2730.57
    gamma-butyrolactone 1577.96
    1-methoxy-2-propanol 1047.29
    pyridine 1036.21
    3-pentanone 1179.54
    furfural 902.73
    n-dodecane 279.62
    diethylene glycol 759.74
    diisopropyl ether 1376.51
    tert-amyl alcohol 1553.94
    acetylacetone 1036.65
    n-hexadecane 313.6
    acetophenone 451.29
    methyl propionate 1056.96
    isopentyl acetate 1795.34
    trichloroethylene 1312.38
    n-nonanol 978.23
    cyclohexanol 1691.05
    benzyl alcohol 397.56
    2-ethylhexanol 2151.61
    isooctanol 788.92
    dipropyl ether 2325.33
    1,2-dichlorobenzene 547.97
    ethyl lactate 286.41
    propylene carbonate 1034.43
    n-methylformamide 475.54
    2-pentanol 1377.83
    n-pentane 1332.0
    1-propoxy-2-propanol 1771.51
    1-methoxy-2-propyl acetate 1334.02
    2-(2-methoxypropoxy) propanol 721.88
    mesitylene 672.39
    ε-caprolactone 1646.35
    p-cymene 611.0
    epichlorohydrin 1593.85
    1,1,1-trichloroethane 1224.86
    2-aminoethanol 365.94
    morpholine-4-carbaldehyde 1143.83
    sulfolane 1198.3
    2,2,4-trimethylpentane 566.9
    2-methyltetrahydrofuran 3336.09
    n-hexyl acetate 1544.21
    isooctane 585.2
    2-(2-butoxyethoxy)ethanol 993.24
    sec-butyl acetate 703.98
    tert-butyl acetate 1357.21
    decalin 606.21
    glycerin 283.21
    diglyme 1330.4
    acrylic acid 446.39
    isopropyl myristate 558.6
    n-butyric acid 1178.4
    acetyl acetate 753.94
    di(2-ethylhexyl) phthalate 374.09
    ethyl propionate 769.23
    nitromethane 771.42
    1,2-diethoxyethane 1355.24
    benzonitrile 595.5
    trioctyl phosphate 354.65
    1-bromopropane 1468.88
    gamma-valerolactone 1686.65
    n-decanol 692.17
    triethyl phosphate 366.41
    4-methyl-2-pentanol 994.51
    propionitrile 854.27
    vinylene carbonate 711.99
    1,1,2-trichlorotrifluoroethane 661.74
    DMS 645.92
    cumene 397.85
    2-octanol 792.0
    2-hexanone 1057.8
    octyl acetate 710.75
    limonene 1279.36
    1,2-dimethoxyethane 1243.6
    ethyl orthosilicate 424.57
    tributyl phosphate 441.71
    diacetone alcohol 1025.45
    N,N-dimethylaniline 440.42
    acrylonitrile 627.66
    aniline 779.35
    1,3-propanediol 582.59
    bromobenzene 834.66
    dibromomethane 1285.96
    1,1,2,2-tetrachloroethane 1096.76
    2-methyl-cyclohexyl acetate 821.86
    tetrabutyl urea 498.64
    diisobutyl methanol 877.36
    2-phenylethanol 821.62
    styrene 534.75
    dioctyl adipate 522.37
    dimethyl sulfate 361.68
    ethyl butyrate 1101.08
    methyl lactate 351.05
    butyl lactate 525.08
    diethyl carbonate 537.98
    propanediol butyl ether 680.97
    triethyl orthoformate 753.65
    p-tert-butyltoluene 649.08
    methyl 4-tert-butylbenzoate 598.65
    morpholine 2145.0
    tert-butylamine 1409.48
    n-dodecanol 517.09
    dimethoxymethane 1116.87
    ethylene carbonate 731.65
    cyrene 425.44
    2-ethoxyethyl acetate 847.55
    2-ethylhexyl acetate 1583.53
    1,2,4-trichlorobenzene 612.36
    4-methylpyridine 1273.14
    dibutyl ether 1544.39
    2,6-dimethyl-4-heptanol 877.36
    DEF 1252.54
    dimethyl isosorbide 1065.88
    tetrachloroethylene 742.55
    eugenol 461.17
    triacetin 647.85
    span 80 734.45
    1,4-butanediol 251.14
    1,1-dichloroethane 1269.75
    2-methyl-1-pentanol 979.06
    methyl formate 432.98
    2-methyl-1-butanol 1356.56
    n-decane 530.02
    butyronitrile 1210.38
    3,7-dimethyl-1-octanol 1155.82
    1-chlorooctane 987.39
    1-chlorotetradecane 372.09
    n-nonane 615.71
    undecane 373.37
    tert-butylcyclohexane 641.22
    cyclooctane 965.07
    cyclopentanol 1276.72
    tetrahydropyran 3240.77
    tert-amyl methyl ether 1962.43
    2,5,8-trioxanonane 911.25
    1-hexene 1863.29
    2-isopropoxyethanol 631.62
    2,2,2-trifluoroethanol 196.75
    methyl butyrate 899.06

    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