2,6-Dimethylocta-5,7-dien-2-yl acetate

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  • Identifiers

    CAS number
    72214-23-4

    Molecular formula
    C12H20O2

    SMILES
    CC(=CCCC(C)(C)OC(=O)C)C=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.52%
    Citrus 74.67%
    Floral 68.52%
    Green 67.76%
    Fresh 62.65%
    Bergamot 55.73%
    Sweet 54.73%
    Herbal 52.72%
    Woody 52.1%
    Lavender 49.02%

     

    Flavor
    Woody 67.5%
    Citrus 67.28%
    Floral 62.12%
    Lavender 61.26%
    Bergamot 59.76%
    Green 55.05%
    Sweet 53.07%
    Tropical 40.85%
    Herbal 36.17%
    Rose 34.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.05 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 96.24 ˚C est.

  • Synonyms

    • 72214-23-4
    • 2,6-dimethylocta-5,7-dien-2-yl acetate
    • 5,7-Octadien-2-ol, 2,6-dimethyl-, acetate
    • ocimen-1-yl acetate
    • DTXSID0052465
    • JAVBVYXSVDXAQK-UHFFFAOYSA-N
    • NS00013053

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1137.85
    methanol 1282.43
    isopropanol 944.69
    water 3.68
    ethyl acetate 661.18
    n-propanol 851.96
    acetone 651.78
    n-butanol 901.98
    acetonitrile 411.49
    DMF 988.22
    toluene 447.29
    isobutanol 707.13
    1,4-dioxane 1262.23
    methyl acetate 566.47
    THF 1555.43
    2-butanone 628.68
    n-pentanol 679.55
    sec-butanol 925.2
    n-hexane 326.6
    ethylene glycol 158.98
    NMP 1064.76
    cyclohexane 299.99
    DMSO 522.26
    n-butyl acetate 455.85
    n-octanol 390.87
    chloroform 1447.19
    n-propyl acetate 346.79
    acetic acid 677.81
    dichloromethane 991.24
    cyclohexanone 934.12
    propylene glycol 349.4
    isopropyl acetate 472.24
    DMAc 1260.68
    2-ethoxyethanol 621.51
    isopentanol 775.92
    n-heptane 127.44
    ethyl formate 370.18
    1,2-dichloroethane 546.49
    n-hexanol 970.37
    2-methoxyethanol 992.44
    isobutyl acetate 272.56
    tetrachloromethane 214.59
    n-pentyl acetate 318.74
    transcutol 1951.44
    n-heptanol 311.36
    ethylbenzene 277.76
    MIBK 403.81
    2-propoxyethanol 1053.88
    tert-butanol 1209.62
    MTBE 1035.41
    2-butoxyethanol 412.17
    propionic acid 542.99
    o-xylene 313.35
    formic acid 267.43
    diethyl ether 892.77
    m-xylene 363.62
    p-xylene 313.98
    chlorobenzene 394.99
    dimethyl carbonate 204.96
    n-octane 48.25
    formamide 229.35
    cyclopentanone 746.3
    2-pentanone 573.43
    anisole 424.51
    cyclopentyl methyl ether 879.41
    gamma-butyrolactone 805.36
    1-methoxy-2-propanol 909.7
    pyridine 561.39
    3-pentanone 453.76
    furfural 633.3
    n-dodecane 38.85
    diethylene glycol 590.99
    diisopropyl ether 318.85
    tert-amyl alcohol 1075.66
    acetylacetone 508.67
    n-hexadecane 42.8
    acetophenone 334.08
    methyl propionate 502.55
    isopentyl acetate 456.33
    trichloroethylene 946.75
    n-nonanol 338.54
    cyclohexanol 910.63
    benzyl alcohol 360.78
    2-ethylhexanol 470.58
    isooctanol 234.27
    dipropyl ether 396.83
    1,2-dichlorobenzene 335.36
    ethyl lactate 211.43
    propylene carbonate 504.89
    n-methylformamide 419.54
    2-pentanol 710.03
    n-pentane 234.73
    1-propoxy-2-propanol 662.98
    1-methoxy-2-propyl acetate 512.97
    2-(2-methoxypropoxy) propanol 503.69
    mesitylene 213.15
    ε-caprolactone 890.56
    p-cymene 142.98
    epichlorohydrin 823.64
    1,1,1-trichloroethane 681.86
    2-aminoethanol 390.17
    morpholine-4-carbaldehyde 1089.73
    sulfolane 759.41
    2,2,4-trimethylpentane 120.17
    2-methyltetrahydrofuran 1276.85
    n-hexyl acetate 615.5
    isooctane 76.65
    2-(2-butoxyethoxy)ethanol 655.3
    sec-butyl acetate 311.93
    tert-butyl acetate 533.43
    decalin 144.64
    glycerin 385.78
    diglyme 895.64
    acrylic acid 351.17
    isopropyl myristate 210.6
    n-butyric acid 758.46
    acetyl acetate 369.42
    di(2-ethylhexyl) phthalate 210.61
    ethyl propionate 360.72
    nitromethane 671.34
    1,2-diethoxyethane 589.79
    benzonitrile 367.87
    trioctyl phosphate 141.82
    1-bromopropane 581.06
    gamma-valerolactone 1057.43
    n-decanol 235.51
    triethyl phosphate 174.06
    4-methyl-2-pentanol 387.64
    propionitrile 437.79
    vinylene carbonate 435.56
    1,1,2-trichlorotrifluoroethane 675.62
    DMS 370.99
    cumene 198.58
    2-octanol 239.97
    2-hexanone 419.05
    octyl acetate 279.97
    limonene 265.38
    1,2-dimethoxyethane 973.34
    ethyl orthosilicate 191.85
    tributyl phosphate 192.24
    diacetone alcohol 573.74
    N,N-dimethylaniline 327.88
    acrylonitrile 367.02
    aniline 449.79
    1,3-propanediol 548.18
    bromobenzene 387.64
    dibromomethane 748.07
    1,1,2,2-tetrachloroethane 898.4
    2-methyl-cyclohexyl acetate 327.47
    tetrabutyl urea 247.69
    diisobutyl methanol 200.35
    2-phenylethanol 430.57
    styrene 298.96
    dioctyl adipate 281.91
    dimethyl sulfate 276.76
    ethyl butyrate 316.45
    methyl lactate 282.96
    butyl lactate 261.01
    diethyl carbonate 215.12
    propanediol butyl ether 488.1
    triethyl orthoformate 257.38
    p-tert-butyltoluene 146.51
    methyl 4-tert-butylbenzoate 349.46
    morpholine 1487.31
    tert-butylamine 841.7
    n-dodecanol 171.66
    dimethoxymethane 695.23
    ethylene carbonate 388.86
    cyrene 370.95
    2-ethoxyethyl acetate 400.53
    2-ethylhexyl acetate 380.72
    1,2,4-trichlorobenzene 411.18
    4-methylpyridine 803.65
    dibutyl ether 400.31
    2,6-dimethyl-4-heptanol 200.35
    DEF 686.41
    dimethyl isosorbide 690.28
    tetrachloroethylene 544.08
    eugenol 318.69
    triacetin 449.58
    span 80 457.7
    1,4-butanediol 241.68
    1,1-dichloroethane 725.97
    2-methyl-1-pentanol 626.31
    methyl formate 300.43
    2-methyl-1-butanol 789.4
    n-decane 69.91
    butyronitrile 528.06
    3,7-dimethyl-1-octanol 369.77
    1-chlorooctane 234.38
    1-chlorotetradecane 93.59
    n-nonane 74.2
    undecane 49.94
    tert-butylcyclohexane 152.61
    cyclooctane 107.88
    cyclopentanol 725.63
    tetrahydropyran 1381.4
    tert-amyl methyl ether 809.75
    2,5,8-trioxanonane 671.9
    1-hexene 582.38
    2-isopropoxyethanol 467.31
    2,2,2-trifluoroethanol 193.03
    methyl butyrate 427.33

    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