Methyl phaseate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C16H22O5

    SMILES
    C/C(=C\C(=O)OC)/C=C/C1(C2(CC(=O)CC1(OC2)C)C)O

  • Odor profile

    Floral 54.38%
    Woody 53.0%
    Fruity 47.77%
    Sweet 37.34%
    Tobacco 27.65%
    Berry 27.58%
    Fresh 27.09%
    Mint 26.52%
    Dry 26.32%
    Raspberry 24.56%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.4 (neutral)

    Molecular weight
    294.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    445°C

    Flash point est.
    182.31 ˚C

  • Synonyms

    • Methyl phaseate
    • Phaseic acid methyl ester
    • BGXJFSPEUCRBIH-LCAICKDSSA-N
    • 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1R-[1.alpha.,5.alpha.,8S*(2Z,4E)]]-
    • 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1R-[1.alpha.,5.alpha.,8S*(Z,E)]]-
    • Methyl (2Z,4E)-5-(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.34
    methanol 256.4
    isopropanol 91.69
    water 2.14
    ethyl acetate 81.91
    n-propanol 83.65
    acetone 235.01
    n-butanol 64.27
    acetonitrile 117.61
    DMF 524.89
    toluene 36.57
    isobutanol 46.92
    1,4-dioxane 277.24
    methyl acetate 71.66
    THF 466.74
    2-butanone 101.32
    n-pentanol 53.06
    sec-butanol 47.28
    n-hexane 0.68
    ethylene glycol 39.66
    NMP 137.31
    cyclohexane 1.9
    DMSO 338.45
    n-butyl acetate 23.96
    n-octanol 23.42
    chloroform 242.01
    n-propyl acetate 44.72
    acetic acid 119.88
    dichloromethane 193.99
    cyclohexanone 128.77
    propylene glycol 48.85
    isopropyl acetate 45.39
    DMAc 248.81
    2-ethoxyethanol 183.66
    isopentanol 46.05
    n-heptane 0.62
    ethyl formate 74.09
    1,2-dichloroethane 77.07
    n-hexanol 35.08
    2-methoxyethanol 375.84
    isobutyl acetate 29.57
    tetrachloromethane 13.54
    n-pentyl acetate 24.1
    transcutol 173.33
    n-heptanol 23.23
    ethylbenzene 16.31
    MIBK 53.25
    2-propoxyethanol 153.54
    tert-butanol 92.32
    MTBE 26.24
    2-butoxyethanol 68.6
    propionic acid 46.79
    o-xylene 17.19
    formic acid 139.91
    diethyl ether 38.4
    m-xylene 21.9
    p-xylene 25.12
    chlorobenzene 41.19
    dimethyl carbonate 57.97
    n-octane 0.58
    formamide 268.36
    cyclopentanone 201.26
    2-pentanone 84.75
    anisole 64.57
    cyclopentyl methyl ether 64.04
    gamma-butyrolactone 188.71
    1-methoxy-2-propanol 260.69
    pyridine 153.18
    3-pentanone 45.31
    furfural 198.96
    n-dodecane 0.71
    diethylene glycol 158.89
    diisopropyl ether 7.78
    tert-amyl alcohol 43.84
    acetylacetone 133.0
    n-hexadecane 0.84
    acetophenone 69.94
    methyl propionate 70.47
    isopentyl acetate 24.01
    trichloroethylene 195.27
    n-nonanol 23.52
    cyclohexanol 44.9
    benzyl alcohol 80.68
    2-ethylhexanol 14.62
    isooctanol 18.09
    dipropyl ether 14.02
    1,2-dichlorobenzene 36.57
    ethyl lactate 38.83
    propylene carbonate 75.22
    n-methylformamide 235.53
    2-pentanol 29.57
    n-pentane 0.6
    1-propoxy-2-propanol 73.94
    1-methoxy-2-propyl acetate 53.87
    2-(2-methoxypropoxy) propanol 59.33
    mesitylene 10.71
    ε-caprolactone 90.75
    p-cymene 7.38
    epichlorohydrin 233.84
    1,1,1-trichloroethane 51.19
    2-aminoethanol 82.41
    morpholine-4-carbaldehyde 256.54
    sulfolane 159.12
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 102.67
    n-hexyl acetate 34.68
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 81.62
    sec-butyl acetate 26.23
    tert-butyl acetate 45.42
    decalin 1.32
    glycerin 93.55
    diglyme 153.16
    acrylic acid 51.19
    isopropyl myristate 14.26
    n-butyric acid 73.26
    acetyl acetate 59.06
    di(2-ethylhexyl) phthalate 19.75
    ethyl propionate 39.72
    nitromethane 309.41
    1,2-diethoxyethane 44.05
    benzonitrile 74.07
    trioctyl phosphate 13.04
    1-bromopropane 23.72
    gamma-valerolactone 313.76
    n-decanol 15.47
    triethyl phosphate 16.75
    4-methyl-2-pentanol 20.58
    propionitrile 70.34
    vinylene carbonate 88.93
    1,1,2-trichlorotrifluoroethane 142.38
    DMS 34.48
    cumene 10.46
    2-octanol 16.07
    2-hexanone 54.52
    octyl acetate 19.3
    limonene 8.15
    1,2-dimethoxyethane 264.63
    ethyl orthosilicate 15.84
    tributyl phosphate 14.37
    diacetone alcohol 83.41
    N,N-dimethylaniline 42.59
    acrylonitrile 111.02
    aniline 62.65
    1,3-propanediol 130.62
    bromobenzene 37.5
    dibromomethane 83.88
    1,1,2,2-tetrachloroethane 130.85
    2-methyl-cyclohexyl acetate 27.07
    tetrabutyl urea 25.33
    diisobutyl methanol 9.29
    2-phenylethanol 55.99
    styrene 19.87
    dioctyl adipate 23.07
    dimethyl sulfate 79.88
    ethyl butyrate 23.43
    methyl lactate 64.14
    butyl lactate 28.04
    diethyl carbonate 17.96
    propanediol butyl ether 59.29
    triethyl orthoformate 19.55
    p-tert-butyltoluene 7.27
    methyl 4-tert-butylbenzoate 43.3
    morpholine 298.05
    tert-butylamine 25.32
    n-dodecanol 10.58
    dimethoxymethane 349.36
    ethylene carbonate 69.96
    cyrene 85.17
    2-ethoxyethyl acetate 45.5
    2-ethylhexyl acetate 17.14
    1,2,4-trichlorobenzene 42.87
    4-methylpyridine 133.68
    dibutyl ether 14.48
    2,6-dimethyl-4-heptanol 9.29
    DEF 86.09
    dimethyl isosorbide 99.19
    tetrachloroethylene 72.88
    eugenol 56.6
    triacetin 43.43
    span 80 43.63
    1,4-butanediol 54.78
    1,1-dichloroethane 67.1
    2-methyl-1-pentanol 33.48
    methyl formate 189.8
    2-methyl-1-butanol 34.43
    n-decane 1.33
    butyronitrile 68.09
    3,7-dimethyl-1-octanol 18.9
    1-chlorooctane 7.69
    1-chlorotetradecane 2.95
    n-nonane 1.04
    undecane 0.93
    tert-butylcyclohexane 1.15
    cyclooctane 0.65
    cyclopentanol 65.37
    tetrahydropyran 118.85
    tert-amyl methyl ether 19.58
    2,5,8-trioxanonane 107.56
    1-hexene 5.02
    2-isopropoxyethanol 98.65
    2,2,2-trifluoroethanol 58.89
    methyl butyrate 56.66

    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 ptycholimatum Amomum ptycholimatum D. Fang, fam. Zingiberaceae 6.0%