Methyl farnesoate

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  • Identifiers

    CAS number
    3675-00-1

    Molecular formula
    C16H26O2

    SMILES
    CC(=CCC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C

  • Odor profile

    Floral 84.91%
    Rose 67.74%
    Citrus 66.43%
    Sweet 63.47%
    Fruity 62.35%
    Green 62.22%
    Waxy 60.93%
    Fresh 50.46%
    Woody 46.41%
    Geranium 41.02%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.64 (weak base)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point est.
    132.99 ˚C

  • Synonyms

    • methyl farnesoate
    • 3675-00-1
    • 10485-70-8
    • Methyl (2E,6E)-farnesoate
    • methyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
    • (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate
    • (E,E)-METHYL FARNESOATE
    • Methyl farnesate
    • CHEBI:80535
    • methyl (E,E)-farnesate
    • Methyl (E,E)-farnesoate
    • Methyl trans,trans-farnesate
    • Methyl (2E,6E)-farnesate
    • Methyl trans,trans-farnesoate
    • Methyl trans,trans-farnesenate
    • methyl (trans,trans)-farnesoate
    • (2E,6E)-farnesyl methyl ester
    • 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester
    • 2-trans-Farnesic acid methyl ester
    • 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-
    • 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (2E,6E)-
    • methyl (2-trans,6-trans)-farnesoate
    • methyl (2-trans-6-trans)-farnesoate
    • (2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid methyl ester
    • Methyl 3,7,11-trimethyl-2,6,10-dodecatrienoate
    • Methyl 3,7,11-trimethyl-2E,6E,10-dodecatrienoate
    • Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate
    • a methyl farnesoate
    • (trans,trans)-2,6,10-dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester
    • DTXSID80893654
    • Farnesyl methyl ester
    • CHEMBL171329
    • SCHEMBL2023438
    • (2E,6E)-Methyl3,7,11-trimethyldodeca-2,6,10-trienoate
    • DTXCID801323685
    • Methyl 3,7,11-trimethyldodeca-2,6,10-trienoic acid
    • Q27149580
    • (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoic acid
    • Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 450.13
    methanol 278.81
    isopropanol 381.49
    water 0.03
    ethyl acetate 400.89
    n-propanol 351.99
    acetone 276.6
    n-butanol 374.39
    acetonitrile 145.77
    DMF 226.3
    toluene 232.02
    isobutanol 248.91
    1,4-dioxane 856.52
    methyl acetate 241.06
    THF 1140.3
    2-butanone 375.0
    n-pentanol 309.14
    sec-butanol 434.27
    n-hexane 94.38
    ethylene glycol 11.78
    NMP 216.44
    cyclohexane 125.87
    DMSO 194.92
    n-butyl acetate 289.98
    n-octanol 131.3
    chloroform 865.27
    n-propyl acetate 269.06
    acetic acid 132.32
    dichloromethane 622.01
    cyclohexanone 489.38
    propylene glycol 71.87
    isopropyl acetate 260.26
    DMAc 315.24
    2-ethoxyethanol 329.87
    isopentanol 317.21
    n-heptane 42.17
    ethyl formate 134.14
    1,2-dichloroethane 382.73
    n-hexanol 335.44
    2-methoxyethanol 381.87
    isobutyl acetate 192.35
    tetrachloromethane 98.69
    n-pentyl acetate 187.09
    transcutol 1139.17
    n-heptanol 142.35
    ethylbenzene 170.59
    MIBK 230.5
    2-propoxyethanol 401.65
    tert-butanol 516.92
    MTBE 552.8
    2-butoxyethanol 245.59
    propionic acid 121.66
    o-xylene 148.03
    formic acid 22.29
    diethyl ether 583.8
    m-xylene 176.27
    p-xylene 198.96
    chlorobenzene 219.73
    dimethyl carbonate 45.25
    n-octane 19.32
    formamide 37.29
    cyclopentanone 398.14
    2-pentanone 324.65
    anisole 286.15
    cyclopentyl methyl ether 439.29
    gamma-butyrolactone 300.47
    1-methoxy-2-propanol 373.51
    pyridine 437.16
    3-pentanone 211.14
    furfural 257.05
    n-dodecane 12.43
    diethylene glycol 142.12
    diisopropyl ether 150.37
    tert-amyl alcohol 478.62
    acetylacetone 247.02
    n-hexadecane 14.42
    acetophenone 220.7
    methyl propionate 194.41
    isopentyl acetate 281.04
    trichloroethylene 631.75
    n-nonanol 128.9
    cyclohexanol 324.31
    benzyl alcohol 194.51
    2-ethylhexanol 201.0
    isooctanol 126.45
    dipropyl ether 265.6
    1,2-dichlorobenzene 189.94
    ethyl lactate 99.86
    propylene carbonate 186.01
    n-methylformamide 80.19
    2-pentanol 312.82
    n-pentane 58.75
    1-propoxy-2-propanol 333.48
    1-methoxy-2-propyl acetate 279.27
    2-(2-methoxypropoxy) propanol 259.43
    mesitylene 110.43
    ε-caprolactone 394.26
    p-cymene 92.85
    epichlorohydrin 538.25
    1,1,1-trichloroethane 427.77
    2-aminoethanol 73.39
    morpholine-4-carbaldehyde 342.01
    sulfolane 284.83
    2,2,4-trimethylpentane 35.58
    2-methyltetrahydrofuran 802.8
    n-hexyl acetate 267.72
    isooctane 26.62
    2-(2-butoxyethoxy)ethanol 361.54
    sec-butyl acetate 231.13
    tert-butyl acetate 294.86
    decalin 58.26
    glycerin 65.12
    diglyme 545.64
    acrylic acid 63.71
    isopropyl myristate 111.03
    n-butyric acid 284.15
    acetyl acetate 162.63
    di(2-ethylhexyl) phthalate 98.19
    ethyl propionate 218.57
    nitromethane 162.87
    1,2-diethoxyethane 433.07
    benzonitrile 174.73
    trioctyl phosphate 66.04
    1-bromopropane 362.2
    gamma-valerolactone 524.17
    n-decanol 94.51
    triethyl phosphate 105.04
    4-methyl-2-pentanol 164.75
    propionitrile 182.31
    vinylene carbonate 146.83
    1,1,2-trichlorotrifluoroethane 250.7
    DMS 135.97
    cumene 115.0
    2-octanol 106.58
    2-hexanone 295.01
    octyl acetate 137.29
    limonene 148.63
    1,2-dimethoxyethane 605.39
    ethyl orthosilicate 116.17
    tributyl phosphate 84.19
    diacetone alcohol 288.27
    N,N-dimethylaniline 189.06
    acrylonitrile 133.44
    aniline 222.71
    1,3-propanediol 156.13
    bromobenzene 231.07
    dibromomethane 467.56
    1,1,2,2-tetrachloroethane 632.44
    2-methyl-cyclohexyl acetate 223.57
    tetrabutyl urea 108.14
    diisobutyl methanol 109.84
    2-phenylethanol 210.95
    styrene 182.36
    dioctyl adipate 158.81
    dimethyl sulfate 60.5
    ethyl butyrate 236.57
    methyl lactate 70.65
    butyl lactate 132.78
    diethyl carbonate 136.83
    propanediol butyl ether 198.53
    triethyl orthoformate 178.73
    p-tert-butyltoluene 91.8
    methyl 4-tert-butylbenzoate 197.28
    morpholine 1091.08
    tert-butylamine 351.05
    n-dodecanol 70.01
    dimethoxymethane 253.23
    ethylene carbonate 138.8
    cyrene 185.56
    2-ethoxyethyl acetate 263.54
    2-ethylhexyl acetate 233.33
    1,2,4-trichlorobenzene 226.29
    4-methylpyridine 430.17
    dibutyl ether 216.25
    2,6-dimethyl-4-heptanol 109.84
    DEF 276.08
    dimethyl isosorbide 395.71
    tetrachloroethylene 330.4
    eugenol 184.48
    triacetin 215.25
    span 80 242.13
    1,4-butanediol 61.88
    1,1-dichloroethane 464.67
    2-methyl-1-pentanol 290.29
    methyl formate 49.71
    2-methyl-1-butanol 289.66
    n-decane 25.75
    butyronitrile 275.79
    3,7-dimethyl-1-octanol 145.43
    1-chlorooctane 107.33
    1-chlorotetradecane 40.05
    n-nonane 25.35
    undecane 16.98
    tert-butylcyclohexane 55.97
    cyclooctane 35.16
    cyclopentanol 248.15
    tetrahydropyran 1039.75
    tert-amyl methyl ether 378.67
    2,5,8-trioxanonane 372.13
    1-hexene 312.28
    2-isopropoxyethanol 261.3
    2,2,2-trifluoroethanol 26.48
    methyl butyrate 289.41

    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
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.5%