9-Tridecenoic acid, methyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    66607-94-1

    Molecular formula
    C14H26O2

    SMILES
    CCCC=CCCCCCCCC(=O)OC

  • Odor profile

    Fragrance
    Fatty 79.14%
    Waxy 66.85%
    Fruity 63.02%
    Oily 61.76%
    Green 41.7%
    Floral 40.68%
    Rose 36.26%
    Winey 35.12%
    Dairy 34.37%
    Citrus 33.44%

     

    Flavor
    Waxy 45.77%
    Oily 30.85%
    Fatty 30.02%
    Fruity 25.84%
    Soapy 24.41%
    Faint 23.18%
    Floral 22.94%
    Creamy 21.92%
    Slightly waxy 21.4%
    Delicate 20.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.77 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    272°C

    Flash point

    • 122.33 ˚C est.

  • Synonyms

    • 9-Tridecenoic acid, methyl ester
    • 137641-43-1
    • SCHEMBL9419201
    • DTXSID80335781

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2330.45
    methanol 1856.72
    isopropanol 2294.01
    water 0.02
    ethyl acetate 3234.14
    n-propanol 2094.62
    acetone 4153.07
    n-butanol 1911.63
    acetonitrile 1846.61
    DMF 2259.78
    toluene 1222.74
    isobutanol 1571.23
    1,4-dioxane 3624.84
    methyl acetate 1896.02
    THF 4981.58
    2-butanone 3201.35
    n-pentanol 1458.92
    sec-butanol 2217.04
    n-hexane 653.34
    ethylene glycol 82.47
    NMP 1680.92
    cyclohexane 1144.93
    DMSO 3350.06
    n-butyl acetate 2091.91
    n-octanol 468.71
    chloroform 4411.09
    n-propyl acetate 2291.01
    acetic acid 967.39
    dichloromethane 4756.25
    cyclohexanone 4125.81
    propylene glycol 269.79
    isopropyl acetate 2028.42
    DMAc 1726.55
    2-ethoxyethanol 1609.54
    isopentanol 1793.74
    n-heptane 231.48
    ethyl formate 1037.47
    1,2-dichloroethane 3577.72
    n-hexanol 1168.85
    2-methoxyethanol 2174.11
    isobutyl acetate 1175.4
    tetrachloromethane 742.56
    n-pentyl acetate 1260.58
    transcutol 5216.37
    n-heptanol 454.33
    ethylbenzene 638.67
    MIBK 1624.87
    2-propoxyethanol 1579.25
    tert-butanol 2949.13
    MTBE 3834.55
    2-butoxyethanol 896.55
    propionic acid 874.51
    o-xylene 630.31
    formic acid 130.06
    diethyl ether 4580.24
    m-xylene 731.64
    p-xylene 730.29
    chlorobenzene 1282.12
    dimethyl carbonate 349.72
    n-octane 75.5
    formamide 273.23
    cyclopentanone 3304.65
    2-pentanone 3232.25
    anisole 1047.43
    cyclopentyl methyl ether 3015.16
    gamma-butyrolactone 2516.92
    1-methoxy-2-propanol 1877.26
    pyridine 2867.89
    3-pentanone 1871.65
    furfural 1638.9
    n-dodecane 40.91
    diethylene glycol 613.17
    diisopropyl ether 994.48
    tert-amyl alcohol 2394.23
    acetylacetone 2159.99
    n-hexadecane 50.01
    acetophenone 914.34
    methyl propionate 1666.67
    isopentyl acetate 1710.23
    trichloroethylene 4841.95
    n-nonanol 410.82
    cyclohexanol 2128.57
    benzyl alcohol 782.42
    2-ethylhexanol 823.49
    isooctanol 433.41
    dipropyl ether 1565.83
    1,2-dichlorobenzene 1114.68
    ethyl lactate 472.76
    propylene carbonate 1196.81
    n-methylformamide 863.26
    2-pentanol 1690.43
    n-pentane 406.69
    1-propoxy-2-propanol 1399.47
    1-methoxy-2-propyl acetate 1446.61
    2-(2-methoxypropoxy) propanol 782.98
    mesitylene 466.15
    ε-caprolactone 2734.21
    p-cymene 312.64
    epichlorohydrin 3608.33
    1,1,1-trichloroethane 3181.51
    2-aminoethanol 392.86
    morpholine-4-carbaldehyde 1790.19
    sulfolane 2615.63
    2,2,4-trimethylpentane 158.79
    2-methyltetrahydrofuran 4869.25
    n-hexyl acetate 1362.4
    isooctane 125.39
    2-(2-butoxyethoxy)ethanol 1205.21
    sec-butyl acetate 1486.51
    tert-butyl acetate 1969.43
    decalin 295.42
    glycerin 284.06
    diglyme 2338.51
    acrylic acid 470.57
    isopropyl myristate 436.48
    n-butyric acid 2061.05
    acetyl acetate 1147.19
    di(2-ethylhexyl) phthalate 322.2
    ethyl propionate 1740.01
    nitromethane 1891.2
    1,2-diethoxyethane 2444.82
    benzonitrile 1062.21
    trioctyl phosphate 236.97
    1-bromopropane 3030.12
    gamma-valerolactone 3483.33
    n-decanol 267.73
    triethyl phosphate 417.47
    4-methyl-2-pentanol 769.53
    propionitrile 1659.75
    vinylene carbonate 948.07
    1,1,2-trichlorotrifluoroethane 1712.01
    DMS 737.55
    cumene 369.71
    2-octanol 390.58
    2-hexanone 2194.22
    octyl acetate 520.27
    limonene 615.79
    1,2-dimethoxyethane 3126.29
    ethyl orthosilicate 442.5
    tributyl phosphate 342.67
    diacetone alcohol 1555.29
    N,N-dimethylaniline 648.31
    acrylonitrile 1339.99
    aniline 1175.82
    1,3-propanediol 784.97
    bromobenzene 1523.08
    dibromomethane 3620.02
    1,1,2,2-tetrachloroethane 4195.92
    2-methyl-cyclohexyl acetate 857.95
    tetrabutyl urea 443.8
    diisobutyl methanol 462.05
    2-phenylethanol 687.86
    styrene 892.56
    dioctyl adipate 626.57
    dimethyl sulfate 530.93
    ethyl butyrate 1425.09
    methyl lactate 430.84
    butyl lactate 696.79
    diethyl carbonate 709.13
    propanediol butyl ether 719.3
    triethyl orthoformate 820.59
    p-tert-butyltoluene 294.68
    methyl 4-tert-butylbenzoate 678.01
    morpholine 5261.18
    tert-butylamine 1884.99
    n-dodecanol 194.22
    dimethoxymethane 1806.73
    ethylene carbonate 940.34
    cyrene 610.41
    2-ethoxyethyl acetate 1410.42
    2-ethylhexyl acetate 1306.66
    1,2,4-trichlorobenzene 1213.5
    4-methylpyridine 2594.08
    dibutyl ether 1363.63
    2,6-dimethyl-4-heptanol 462.05
    DEF 2646.46
    dimethyl isosorbide 1291.78
    tetrachloroethylene 2571.6
    eugenol 617.35
    triacetin 986.32
    span 80 774.1
    1,4-butanediol 303.79
    1,1-dichloroethane 3804.95
    2-methyl-1-pentanol 1317.45
    methyl formate 485.72
    2-methyl-1-butanol 1671.93
    n-decane 90.13
    butyronitrile 2230.39
    3,7-dimethyl-1-octanol 536.97
    1-chlorooctane 481.28
    1-chlorotetradecane 137.42
    n-nonane 99.21
    undecane 56.44
    tert-butylcyclohexane 232.14
    cyclooctane 248.47
    cyclopentanol 1695.75
    tetrahydropyran 6459.62
    tert-amyl methyl ether 2241.9
    2,5,8-trioxanonane 1354.84
    1-hexene 2022.36
    2-isopropoxyethanol 1282.41
    2,2,2-trifluoroethanol 193.43
    methyl butyrate 2371.29

    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
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.8%