Dihydromyrcenyl acetate

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  • Identifiers

    CAS number
    53767-93-4

    Molecular formula
    C12H22O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 80.52%
    Citrus 76.61%
    Fresh 66.0%
    Woody 58.93%
    Bergamot 56.3%
    Herbal 55.88%
    Lavender 52.23%
    Fruity 47.68%
    Rose 46.52%
    Lemon 45.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point est.
    88.95 ˚C

  • Synonyms

    • 53767-93-4
    • 2,6-Dimethyloct-7-en-2-yl acetate
    • 2,6-Dimethyl-7-octen-2-yl acetate
    • W9O6R2H72I
    • 7-Octen-2-ol, 2,6-dimethyl-, 2-acetate
    • 7-Octen-2-ol, 2,6-dimethyl-, acetate
    • DTXSID4052182
    • EINECS 258-751-7
    • UNII-W9O6R2H72I
    • 6,10-Dihydromyrcenyl acetate
    • SCHEMBL158257
    • DTXCID4030752
    • 2,6-Dimethyl-7octen-2-yl acetate
    • DB-052396
    • NS00012253
    • Q27292505

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2354.27
    methanol 2469.07
    isopropanol 2092.48
    water 2.89
    ethyl acetate 1464.85
    n-propanol 1882.91
    acetone 1493.61
    n-butanol 1973.57
    acetonitrile 867.26
    DMF 1666.12
    toluene 842.72
    isobutanol 1643.34
    1,4-dioxane 2452.48
    methyl acetate 1089.37
    THF 3175.25
    2-butanone 1290.67
    n-pentanol 1475.75
    sec-butanol 2014.76
    n-hexane 835.92
    ethylene glycol 286.87
    NMP 1736.66
    cyclohexane 772.51
    DMSO 1060.77
    n-butyl acetate 1178.43
    n-octanol 820.59
    chloroform 2882.79
    n-propyl acetate 775.42
    acetic acid 1318.07
    dichloromethane 1919.1
    cyclohexanone 2129.75
    propylene glycol 713.87
    isopropyl acetate 1078.87
    DMAc 1787.66
    2-ethoxyethanol 1064.59
    isopentanol 1779.71
    n-heptane 310.95
    ethyl formate 710.65
    1,2-dichloroethane 1190.28
    n-hexanol 2311.8
    2-methoxyethanol 1722.38
    isobutyl acetate 625.99
    tetrachloromethane 521.16
    n-pentyl acetate 732.33
    transcutol 3605.65
    n-heptanol 697.47
    ethylbenzene 506.81
    MIBK 880.87
    2-propoxyethanol 2041.21
    tert-butanol 2579.18
    MTBE 2415.44
    2-butoxyethanol 812.3
    propionic acid 1142.77
    o-xylene 572.26
    formic acid 415.45
    diethyl ether 1958.59
    m-xylene 684.59
    p-xylene 611.03
    chlorobenzene 848.66
    dimethyl carbonate 336.22
    n-octane 107.89
    formamide 354.13
    cyclopentanone 1578.43
    2-pentanone 1279.91
    anisole 699.14
    cyclopentyl methyl ether 1869.42
    gamma-butyrolactone 1674.91
    1-methoxy-2-propanol 1649.52
    pyridine 1150.52
    3-pentanone 941.42
    furfural 1171.86
    n-dodecane 74.41
    diethylene glycol 1055.13
    diisopropyl ether 778.22
    tert-amyl alcohol 2366.35
    acetylacetone 1012.7
    n-hexadecane 84.32
    acetophenone 560.98
    methyl propionate 957.31
    isopentyl acetate 1137.85
    trichloroethylene 1980.77
    n-nonanol 672.2
    cyclohexanol 2186.11
    benzyl alcohol 628.95
    2-ethylhexanol 1095.62
    isooctanol 525.48
    dipropyl ether 901.57
    1,2-dichlorobenzene 682.15
    ethyl lactate 366.02
    propylene carbonate 1009.01
    n-methylformamide 741.96
    2-pentanol 1611.56
    n-pentane 548.83
    1-propoxy-2-propanol 1431.79
    1-methoxy-2-propyl acetate 1073.27
    2-(2-methoxypropoxy) propanol 870.76
    mesitylene 434.06
    ε-caprolactone 1883.14
    p-cymene 297.62
    epichlorohydrin 1712.76
    1,1,1-trichloroethane 1573.05
    2-aminoethanol 774.42
    morpholine-4-carbaldehyde 1751.64
    sulfolane 1498.24
    2,2,4-trimethylpentane 261.58
    2-methyltetrahydrofuran 2834.25
    n-hexyl acetate 1319.89
    isooctane 188.78
    2-(2-butoxyethoxy)ethanol 1252.18
    sec-butyl acetate 667.57
    tert-butyl acetate 1177.81
    decalin 325.22
    glycerin 692.0
    diglyme 1670.39
    acrylic acid 671.91
    isopropyl myristate 425.65
    n-butyric acid 1698.37
    acetyl acetate 742.48
    di(2-ethylhexyl) phthalate 390.75
    ethyl propionate 702.99
    nitromethane 1219.31
    1,2-diethoxyethane 1203.27
    benzonitrile 736.2
    trioctyl phosphate 283.47
    1-bromopropane 1272.12
    gamma-valerolactone 2046.66
    n-decanol 465.32
    triethyl phosphate 298.65
    4-methyl-2-pentanol 884.93
    propionitrile 913.07
    vinylene carbonate 837.01
    1,1,2-trichlorotrifluoroethane 1273.22
    DMS 666.76
    cumene 359.08
    2-octanol 535.39
    2-hexanone 944.61
    octyl acetate 559.43
    limonene 593.33
    1,2-dimethoxyethane 1738.87
    ethyl orthosilicate 327.8
    tributyl phosphate 371.65
    diacetone alcohol 1175.48
    N,N-dimethylaniline 515.87
    acrylonitrile 753.66
    aniline 900.99
    1,3-propanediol 1034.46
    bromobenzene 886.5
    dibromomethane 1540.0
    1,1,2,2-tetrachloroethane 1901.51
    2-methyl-cyclohexyl acetate 650.71
    tetrabutyl urea 444.98
    diisobutyl methanol 453.36
    2-phenylethanol 828.06
    styrene 539.55
    dioctyl adipate 535.94
    dimethyl sulfate 456.03
    ethyl butyrate 654.84
    methyl lactate 482.82
    butyl lactate 562.97
    diethyl carbonate 401.34
    propanediol butyl ether 966.35
    triethyl orthoformate 501.55
    p-tert-butyltoluene 304.25
    methyl 4-tert-butylbenzoate 614.03
    morpholine 2880.57
    tert-butylamine 1933.21
    n-dodecanol 336.36
    dimethoxymethane 1175.41
    ethylene carbonate 793.93
    cyrene 632.1
    2-ethoxyethyl acetate 791.42
    2-ethylhexyl acetate 900.44
    1,2,4-trichlorobenzene 818.19
    4-methylpyridine 1618.55
    dibutyl ether 925.33
    2,6-dimethyl-4-heptanol 453.36
    DEF 1296.97
    dimethyl isosorbide 1205.5
    tetrachloroethylene 1201.75
    eugenol 536.28
    triacetin 818.72
    span 80 883.38
    1,4-butanediol 445.66
    1,1-dichloroethane 1604.41
    2-methyl-1-pentanol 1318.28
    methyl formate 520.16
    2-methyl-1-butanol 1779.41
    n-decane 145.09
    butyronitrile 1235.94
    3,7-dimethyl-1-octanol 781.7
    1-chlorooctane 506.17
    1-chlorotetradecane 179.71
    n-nonane 161.74
    undecane 98.36
    tert-butylcyclohexane 330.11
    cyclooctane 267.87
    cyclopentanol 1692.77
    tetrahydropyran 3113.59
    tert-amyl methyl ether 1723.88
    2,5,8-trioxanonane 1156.67
    1-hexene 1467.3
    2-isopropoxyethanol 863.67
    2,2,2-trifluoroethanol 368.23
    methyl butyrate 882.31

    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