2,6-Dimethylhept-5-enyl acetate

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  • Identifiers

    CAS number
    51979-48-7

    Molecular formula
    C11H20O2

    SMILES
    CC(CCC=C(C)C)COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 79.44%
    Floral 73.78%
    Sweet 71.46%
    Green 68.71%
    Citrus 66.33%
    Rose 59.77%
    Fresh 54.9%
    Waxy 48.27%
    Herbal 44.74%
    Tropical 41.33%

     

    Flavor
    Green 68.96%
    Floral 68.57%
    Rose 62.61%
    Sweet 61.49%
    Fruity 60.33%
    Bitter 57.59%
    Citrus 47.21%
    Tropical 44.76%
    Fruit 43.88%
    Waxy 43.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.39 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 88.59 ˚C est.

  • Synonyms

    • 2,6-dimethylhept-5-enyl acetate
    • 2,6-dimethylhept-5-en-1-yl acetate
    • 51979-48-7
    • NSC46307
    • DTXSID50286519
    • NSC-46307
    • DB-250893
    • 51979-48-7

  • Applications

    2,6-Dimethylhept-5-enyl acetate (CAS 51979-48-7) is commonly used as an odorant and fragrance ingredient in perfumery and cosmetic formulations, contributing specific aroma notes and potentially acting as a fixative in complex accords; it is also employed in household products such as air fresheners and cleaners to impart a lasting scent, may be evaluated as a flavor/aroma component where permitted by regulatory frameworks, can serve as an intermediate in fragrance synthesis in industrial manufacturing, and may be considered for use in coatings/inks to provide a scented contribution, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1110.19
    methanol 1018.08
    isopropanol 1092.51
    water 0.61
    ethyl acetate 531.95
    n-propanol 841.49
    acetone 675.89
    n-butanol 863.15
    acetonitrile 468.44
    DMF 601.77
    toluene 347.65
    isobutanol 663.2
    1,4-dioxane 1075.91
    methyl acetate 455.81
    THF 1169.24
    2-butanone 596.28
    n-pentanol 698.03
    sec-butanol 950.29
    n-hexane 250.51
    ethylene glycol 130.93
    NMP 496.72
    cyclohexane 192.98
    DMSO 579.81
    n-butyl acetate 496.92
    n-octanol 346.43
    chloroform 1738.27
    n-propyl acetate 354.44
    acetic acid 484.58
    dichloromethane 1176.14
    cyclohexanone 732.87
    propylene glycol 375.16
    isopropyl acetate 357.75
    DMAc 629.31
    2-ethoxyethanol 633.69
    isopentanol 773.29
    n-heptane 89.32
    ethyl formate 288.88
    1,2-dichloroethane 578.96
    n-hexanol 817.12
    2-methoxyethanol 817.3
    isobutyl acetate 276.17
    tetrachloromethane 250.91
    n-pentyl acetate 293.33
    transcutol 1704.46
    n-heptanol 301.84
    ethylbenzene 249.12
    MIBK 346.93
    2-propoxyethanol 837.31
    tert-butanol 1303.39
    MTBE 885.57
    2-butoxyethanol 439.63
    propionic acid 427.75
    o-xylene 259.02
    formic acid 121.3
    diethyl ether 666.64
    m-xylene 275.15
    p-xylene 327.28
    chlorobenzene 342.26
    dimethyl carbonate 102.81
    n-octane 37.93
    formamide 138.3
    cyclopentanone 633.34
    2-pentanone 489.88
    anisole 422.94
    cyclopentyl methyl ether 576.11
    gamma-butyrolactone 553.36
    1-methoxy-2-propanol 760.49
    pyridine 603.88
    3-pentanone 321.28
    furfural 550.06
    n-dodecane 28.78
    diethylene glycol 466.31
    diisopropyl ether 208.65
    tert-amyl alcohol 1113.0
    acetylacetone 407.24
    n-hexadecane 32.4
    acetophenone 340.56
    methyl propionate 308.29
    isopentyl acetate 481.48
    trichloroethylene 1106.71
    n-nonanol 288.5
    cyclohexanol 746.79
    benzyl alcohol 377.57
    2-ethylhexanol 449.91
    isooctanol 249.91
    dipropyl ether 361.29
    1,2-dichlorobenzene 322.88
    ethyl lactate 200.71
    propylene carbonate 391.73
    n-methylformamide 257.11
    2-pentanol 670.12
    n-pentane 151.82
    1-propoxy-2-propanol 640.68
    1-methoxy-2-propyl acetate 423.95
    2-(2-methoxypropoxy) propanol 479.05
    mesitylene 175.54
    ε-caprolactone 642.36
    p-cymene 163.83
    epichlorohydrin 776.23
    1,1,1-trichloroethane 743.57
    2-aminoethanol 386.72
    morpholine-4-carbaldehyde 691.68
    sulfolane 588.11
    2,2,4-trimethylpentane 81.71
    2-methyltetrahydrofuran 1045.25
    n-hexyl acetate 488.03
    isooctane 60.82
    2-(2-butoxyethoxy)ethanol 620.56
    sec-butyl acetate 297.32
    tert-butyl acetate 402.88
    decalin 102.64
    glycerin 321.2
    diglyme 859.88
    acrylic acid 291.79
    isopropyl myristate 187.73
    n-butyric acid 657.99
    acetyl acetate 276.76
    di(2-ethylhexyl) phthalate 204.95
    ethyl propionate 284.69
    nitromethane 448.05
    1,2-diethoxyethane 562.31
    benzonitrile 420.59
    trioctyl phosphate 141.65
    1-bromopropane 594.96
    gamma-valerolactone 806.87
    n-decanol 214.43
    triethyl phosphate 156.84
    4-methyl-2-pentanol 363.07
    propionitrile 441.13
    vinylene carbonate 348.64
    1,1,2-trichlorotrifluoroethane 647.46
    DMS 266.21
    cumene 187.96
    2-octanol 230.69
    2-hexanone 457.66
    octyl acetate 243.45
    limonene 271.97
    1,2-dimethoxyethane 834.09
    ethyl orthosilicate 166.57
    tributyl phosphate 176.69
    diacetone alcohol 501.53
    N,N-dimethylaniline 296.83
    acrylonitrile 409.97
    aniline 429.19
    1,3-propanediol 524.3
    bromobenzene 359.07
    dibromomethane 889.48
    1,1,2,2-tetrachloroethane 1064.09
    2-methyl-cyclohexyl acetate 315.64
    tetrabutyl urea 208.14
    diisobutyl methanol 219.67
    2-phenylethanol 388.03
    styrene 293.87
    dioctyl adipate 273.1
    dimethyl sulfate 151.32
    ethyl butyrate 321.79
    methyl lactate 200.22
    butyl lactate 273.19
    diethyl carbonate 208.47
    propanediol butyl ether 540.47
    triethyl orthoformate 232.73
    p-tert-butyltoluene 165.11
    methyl 4-tert-butylbenzoate 319.83
    morpholine 1313.21
    tert-butylamine 866.89
    n-dodecanol 161.76
    dimethoxymethane 375.57
    ethylene carbonate 290.21
    cyrene 352.14
    2-ethoxyethyl acetate 366.07
    2-ethylhexyl acetate 377.81
    1,2,4-trichlorobenzene 410.08
    4-methylpyridine 711.62
    dibutyl ether 342.39
    2,6-dimethyl-4-heptanol 219.67
    DEF 435.0
    dimethyl isosorbide 582.33
    tetrachloroethylene 601.87
    eugenol 326.56
    triacetin 415.68
    span 80 478.4
    1,4-butanediol 265.26
    1,1-dichloroethane 846.3
    2-methyl-1-pentanol 620.36
    methyl formate 163.51
    2-methyl-1-butanol 700.45
    n-decane 51.62
    butyronitrile 580.17
    3,7-dimethyl-1-octanol 364.81
    1-chlorooctane 203.99
    1-chlorotetradecane 77.72
    n-nonane 52.62
    undecane 36.74
    tert-butylcyclohexane 111.08
    cyclooctane 64.36
    cyclopentanol 615.73
    tetrahydropyran 1129.82
    tert-amyl methyl ether 609.79
    2,5,8-trioxanonane 618.72
    1-hexene 622.27
    2-isopropoxyethanol 506.86
    2,2,2-trifluoroethanol 124.69
    methyl butyrate 384.38

    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