Acetic acid 6-methoxy-3-methyl-2,5-heptadienyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C11H18O3

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

  • Odor profile

    Fruity 90.15%
    Green 72.95%
    Floral 58.11%
    Sweet 51.93%
    Apple 50.14%
    Tropical 49.53%
    Fresh 46.0%
    Herbal 43.39%
    Rose 39.71%
    Pear 39.47%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.66 (weak base)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    99.03 ˚C

  • Synonyms

    • 55402-27-2
    • DB-307578
    • Acetic acid 6-methoxy-3-methyl-2,5-heptadienyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1050.29
    methanol 1193.78
    isopropanol 871.33
    water 7.32
    ethyl acetate 305.38
    n-propanol 641.95
    acetone 475.45
    n-butanol 547.73
    acetonitrile 492.74
    DMF 580.51
    toluene 178.99
    isobutanol 397.47
    1,4-dioxane 1132.92
    methyl acetate 371.18
    THF 803.43
    2-butanone 353.48
    n-pentanol 334.43
    sec-butanol 626.22
    n-hexane 26.76
    ethylene glycol 200.92
    NMP 372.58
    cyclohexane 58.95
    DMSO 647.56
    n-butyl acetate 97.26
    n-octanol 96.25
    chloroform 1153.78
    n-propyl acetate 133.61
    acetic acid 520.72
    dichloromethane 875.97
    cyclohexanone 350.85
    propylene glycol 447.46
    isopropyl acetate 153.01
    DMAc 750.1
    2-ethoxyethanol 604.37
    isopentanol 315.27
    n-heptane 12.08
    ethyl formate 195.75
    1,2-dichloroethane 361.73
    n-hexanol 192.83
    2-methoxyethanol 1043.37
    isobutyl acetate 77.18
    tetrachloromethane 106.63
    n-pentyl acetate 67.41
    transcutol 895.24
    n-heptanol 75.81
    ethylbenzene 96.83
    MIBK 109.55
    2-propoxyethanol 371.24
    tert-butanol 843.41
    MTBE 329.08
    2-butoxyethanol 165.78
    propionic acid 351.59
    o-xylene 123.56
    formic acid 266.19
    diethyl ether 361.59
    m-xylene 109.2
    p-xylene 130.28
    chlorobenzene 159.42
    dimethyl carbonate 84.85
    n-octane 6.84
    formamide 403.65
    cyclopentanone 309.87
    2-pentanone 208.66
    anisole 255.74
    cyclopentyl methyl ether 262.25
    gamma-butyrolactone 343.14
    1-methoxy-2-propanol 670.83
    pyridine 496.1
    3-pentanone 169.04
    furfural 372.14
    n-dodecane 7.09
    diethylene glycol 333.29
    diisopropyl ether 58.96
    tert-amyl alcohol 561.73
    acetylacetone 210.85
    n-hexadecane 7.87
    acetophenone 187.71
    methyl propionate 233.83
    isopentyl acetate 87.7
    trichloroethylene 680.41
    n-nonanol 88.27
    cyclohexanol 434.71
    benzyl alcohol 263.43
    2-ethylhexanol 83.98
    isooctanol 55.31
    dipropyl ether 85.63
    1,2-dichlorobenzene 140.81
    ethyl lactate 103.06
    propylene carbonate 176.41
    n-methylformamide 341.24
    2-pentanol 303.29
    n-pentane 27.01
    1-propoxy-2-propanol 214.61
    1-methoxy-2-propyl acetate 148.97
    2-(2-methoxypropoxy) propanol 196.93
    mesitylene 54.94
    ε-caprolactone 323.59
    p-cymene 39.14
    epichlorohydrin 523.39
    1,1,1-trichloroethane 368.79
    2-aminoethanol 502.96
    morpholine-4-carbaldehyde 604.56
    sulfolane 329.23
    2,2,4-trimethylpentane 17.02
    2-methyltetrahydrofuran 581.9
    n-hexyl acetate 130.09
    isooctane 8.19
    2-(2-butoxyethoxy)ethanol 279.29
    sec-butyl acetate 100.03
    tert-butyl acetate 145.92
    decalin 25.92
    glycerin 419.64
    diglyme 453.26
    acrylic acid 265.48
    isopropyl myristate 51.26
    n-butyric acid 366.48
    acetyl acetate 174.05
    di(2-ethylhexyl) phthalate 59.67
    ethyl propionate 133.16
    nitromethane 635.77
    1,2-diethoxyethane 213.16
    benzonitrile 196.73
    trioctyl phosphate 35.82
    1-bromopropane 249.82
    gamma-valerolactone 558.02
    n-decanol 62.9
    triethyl phosphate 62.72
    4-methyl-2-pentanol 108.41
    propionitrile 301.53
    vinylene carbonate 189.26
    1,1,2-trichlorotrifluoroethane 474.69
    DMS 123.33
    cumene 61.03
    2-octanol 55.3
    2-hexanone 142.6
    octyl acetate 69.61
    limonene 57.64
    1,2-dimethoxyethane 711.14
    ethyl orthosilicate 62.15
    tributyl phosphate 48.19
    diacetone alcohol 225.12
    N,N-dimethylaniline 157.94
    acrylonitrile 323.0
    aniline 331.36
    1,3-propanediol 594.9
    bromobenzene 159.82
    dibromomethane 523.07
    1,1,2,2-tetrachloroethane 632.1
    2-methyl-cyclohexyl acetate 92.29
    tetrabutyl urea 64.31
    diisobutyl methanol 45.68
    2-phenylethanol 165.51
    styrene 122.5
    dioctyl adipate 84.81
    dimethyl sulfate 134.56
    ethyl butyrate 91.46
    methyl lactate 151.4
    butyl lactate 80.36
    diethyl carbonate 73.25
    propanediol butyl ether 206.26
    triethyl orthoformate 77.98
    p-tert-butyltoluene 38.34
    methyl 4-tert-butylbenzoate 125.12
    morpholine 1322.61
    tert-butylamine 414.37
    n-dodecanol 47.59
    dimethoxymethane 373.51
    ethylene carbonate 164.88
    cyrene 190.38
    2-ethoxyethyl acetate 123.25
    2-ethylhexyl acetate 69.6
    1,2,4-trichlorobenzene 191.52
    4-methylpyridine 451.61
    dibutyl ether 92.2
    2,6-dimethyl-4-heptanol 45.68
    DEF 296.19
    dimethyl isosorbide 247.73
    tetrachloroethylene 341.48
    eugenol 139.84
    triacetin 157.93
    span 80 160.38
    1,4-butanediol 254.52
    1,1-dichloroethane 495.55
    2-methyl-1-pentanol 228.12
    methyl formate 198.83
    2-methyl-1-butanol 333.66
    n-decane 12.57
    butyronitrile 305.01
    3,7-dimethyl-1-octanol 88.35
    1-chlorooctane 47.32
    1-chlorotetradecane 19.68
    n-nonane 11.59
    undecane 8.99
    tert-butylcyclohexane 23.17
    cyclooctane 13.94
    cyclopentanol 357.83
    tetrahydropyran 739.16
    tert-amyl methyl ether 231.29
    2,5,8-trioxanonane 329.98
    1-hexene 106.74
    2-isopropoxyethanol 318.19
    2,2,2-trifluoroethanol 161.75
    methyl butyrate 168.81

    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

Botanical

Name CAS Botanical Proportion
Amomum tsao-ko (China) 2 Amomum tsao-ko Crevost et Lemiare, fam. Zingiberaceae 0.1%