9-Dodecenoic acid, methyl ester

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  • Identifiers

    CAS number
    39202-17-0

    Molecular formula
    C13H24O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fatty 77.34%
    Waxy 70.62%
    Fruity 70.27%
    Green 62.72%
    Oily 54.11%
    Floral 48.97%
    Rose 44.28%
    Melon 43.84%
    Pear 43.17%
    Citrus 41.69%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.9 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point est.
    114.71 ˚C

  • Synonyms

    • 9-Dodecenoic acid, methyl ester
    • 39202-17-0
    • methyl (E)-dodec-9-enoate
    • METHYL DODEC-9-ENOATE
    • EC 700-618-7
    • DTXSID90884816
    • (E)-9-Dodecenoic acid methyl ester
    • 9-Dodecenoic acid, methyl ester, (E)-
    • methyl trans-dodec-9-enoate
    • SCHEMBL815437
    • SCHEMBL816605
    • Methyl (9E)-9-dodecenoate #
    • DTXCID001024237
    • METHYL-TRANS-9-DODECENOATE
    • 55030-26-7
    • DB-299979
    • Q63392724
    • 700-618-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2312.99
    methanol 1966.42
    isopropanol 2059.34
    water 0.02
    ethyl acetate 2699.55
    n-propanol 1964.62
    acetone 3522.21
    n-butanol 1750.84
    acetonitrile 1786.57
    DMF 1954.85
    toluene 1119.82
    isobutanol 1386.21
    1,4-dioxane 3314.96
    methyl acetate 1663.98
    THF 4327.39
    2-butanone 2722.93
    n-pentanol 1368.95
    sec-butanol 1965.36
    n-hexane 571.0
    ethylene glycol 98.13
    NMP 1493.14
    cyclohexane 903.96
    DMSO 3081.28
    n-butyl acetate 1799.59
    n-octanol 419.08
    chloroform 4045.7
    n-propyl acetate 1872.02
    acetic acid 967.11
    dichloromethane 4308.56
    cyclohexanone 3403.94
    propylene glycol 287.64
    isopropyl acetate 1643.16
    DMAc 1418.07
    2-ethoxyethanol 1487.35
    isopentanol 1576.94
    n-heptane 191.62
    ethyl formate 911.74
    1,2-dichloroethane 3128.52
    n-hexanol 1107.37
    2-methoxyethanol 2006.04
    isobutyl acetate 958.5
    tetrachloromethane 662.7
    n-pentyl acetate 1006.2
    transcutol 4780.85
    n-heptanol 401.52
    ethylbenzene 561.35
    MIBK 1312.15
    2-propoxyethanol 1485.38
    tert-butanol 2635.12
    MTBE 3142.33
    2-butoxyethanol 786.89
    propionic acid 837.83
    o-xylene 554.84
    formic acid 147.25
    diethyl ether 3976.52
    m-xylene 645.84
    p-xylene 626.86
    chlorobenzene 1164.62
    dimethyl carbonate 305.97
    n-octane 62.1
    formamide 287.46
    cyclopentanone 2803.94
    2-pentanone 2645.89
    anisole 927.42
    cyclopentyl methyl ether 2508.98
    gamma-butyrolactone 2215.88
    1-methoxy-2-propanol 1670.12
    pyridine 2632.18
    3-pentanone 1549.16
    furfural 1485.33
    n-dodecane 35.88
    diethylene glycol 626.11
    diisopropyl ether 827.29
    tert-amyl alcohol 2105.19
    acetylacetone 1788.93
    n-hexadecane 43.57
    acetophenone 793.13
    methyl propionate 1414.41
    isopentyl acetate 1429.87
    trichloroethylene 4289.48
    n-nonanol 364.03
    cyclohexanol 1857.43
    benzyl alcohol 724.57
    2-ethylhexanol 730.35
    isooctanol 374.56
    dipropyl ether 1270.11
    1,2-dichlorobenzene 984.9
    ethyl lactate 407.02
    propylene carbonate 1033.05
    n-methylformamide 793.35
    2-pentanol 1467.37
    n-pentane 358.31
    1-propoxy-2-propanol 1249.91
    1-methoxy-2-propyl acetate 1234.37
    2-(2-methoxypropoxy) propanol 721.68
    mesitylene 405.15
    ε-caprolactone 2301.02
    p-cymene 271.01
    epichlorohydrin 3164.22
    1,1,1-trichloroethane 2738.38
    2-aminoethanol 430.84
    morpholine-4-carbaldehyde 1568.96
    sulfolane 2318.55
    2,2,4-trimethylpentane 138.02
    2-methyltetrahydrofuran 4165.29
    n-hexyl acetate 1124.26
    isooctane 107.8
    2-(2-butoxyethoxy)ethanol 1093.88
    sec-butyl acetate 1192.17
    tert-butyl acetate 1602.95
    decalin 252.59
    glycerin 301.43
    diglyme 2048.18
    acrylic acid 475.14
    isopropyl myristate 369.11
    n-butyric acid 1779.36
    acetyl acetate 986.48
    di(2-ethylhexyl) phthalate 288.34
    ethyl propionate 1404.26
    nitromethane 1748.86
    1,2-diethoxyethane 2128.3
    benzonitrile 968.09
    trioctyl phosphate 207.59
    1-bromopropane 2635.67
    gamma-valerolactone 2897.88
    n-decanol 239.91
    triethyl phosphate 358.71
    4-methyl-2-pentanol 663.62
    propionitrile 1536.94
    vinylene carbonate 839.72
    1,1,2-trichlorotrifluoroethane 1537.06
    DMS 647.46
    cumene 320.54
    2-octanol 333.15
    2-hexanone 1810.11
    octyl acetate 443.6
    limonene 513.15
    1,2-dimethoxyethane 2649.16
    ethyl orthosilicate 377.88
    tributyl phosphate 299.81
    diacetone alcohol 1292.38
    N,N-dimethylaniline 569.1
    acrylonitrile 1278.2
    aniline 1093.54
    1,3-propanediol 773.32
    bromobenzene 1359.02
    dibromomethane 3269.11
    1,1,2,2-tetrachloroethane 3640.08
    2-methyl-cyclohexyl acetate 731.63
    tetrabutyl urea 382.64
    diisobutyl methanol 394.83
    2-phenylethanol 638.59
    styrene 795.47
    dioctyl adipate 535.0
    dimethyl sulfate 471.33
    ethyl butyrate 1177.89
    methyl lactate 386.1
    butyl lactate 586.59
    diethyl carbonate 606.12
    propanediol butyl ether 662.22
    triethyl orthoformate 679.89
    p-tert-butyltoluene 256.87
    methyl 4-tert-butylbenzoate 584.9
    morpholine 4701.94
    tert-butylamine 1715.77
    n-dodecanol 174.73
    dimethoxymethane 1560.49
    ethylene carbonate 808.25
    cyrene 558.42
    2-ethoxyethyl acetate 1175.29
    2-ethylhexyl acetate 1092.6
    1,2,4-trichlorobenzene 1069.13
    4-methylpyridine 2343.29
    dibutyl ether 1104.42
    2,6-dimethyl-4-heptanol 394.83
    DEF 2174.74
    dimethyl isosorbide 1144.97
    tetrachloroethylene 2266.17
    eugenol 552.85
    triacetin 842.58
    span 80 697.48
    1,4-butanediol 308.03
    1,1-dichloroethane 3286.25
    2-methyl-1-pentanol 1207.49
    methyl formate 449.35
    2-methyl-1-butanol 1495.36
    n-decane 75.82
    butyronitrile 1979.73
    3,7-dimethyl-1-octanol 469.04
    1-chlorooctane 404.67
    1-chlorotetradecane 119.56
    n-nonane 82.06
    undecane 49.3
    tert-butylcyclohexane 199.9
    cyclooctane 202.37
    cyclopentanol 1489.06
    tetrahydropyran 5449.27
    tert-amyl methyl ether 1849.23
    2,5,8-trioxanonane 1240.22
    1-hexene 1795.53
    2-isopropoxyethanol 1146.6
    2,2,2-trifluoroethanol 187.58
    methyl butyrate 1920.14

    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
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 2.79%