2-Dodecenoic acid, methyl ester, (2E)-

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  • Identifiers

    CAS number
    6208-91-9

    Molecular formula
    C13H24O2

    SMILES
    CCCCCCCCC/C=C/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 85.91%
    Fruity 79.72%
    Green 77.0%
    Waxy 74.77%
    Pear 53.45%
    Melon 52.38%
    Oily 49.65%
    Citrus 48.62%
    Dairy 40.69%
    Fresh 40.26%

     

    Flavor
    Waxy 63.07%
    Fruity 58.9%
    Oily 40.7%
    Sweet 39.42%
    Fatty 38.22%
    Soapy 36.03%
    Creamy 33.87%
    Floral 32.05%
    Green 29.46%
    Pear 28.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.66 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 271.00 to 273.00 °C. @ 760.00 mm Hg

    Flash point

    • 115.18 ˚C est.

  • Synonyms

    • 2-Dodecenoic acid, methyl ester, (2E)-
    • RefChem:471341
    • Methyl (2E)-2-dodecenoate
    • Methyl (E)-2-dodecenoate
    • methyl (E)-dodec-2-enoate
    • 6208-91-9
    • METHYL (2E)-DODEC-2-ENOATE
    • methyl dodecenoate
    • SCHEMBL10481278
    • CHEBI:171799
    • YWSDDOFJTUOVMX-VAWYXSNFSA-N
    • DTXSID301020139
    • LMFA07010931
    • 2-Dodecenoic acid,methyl ester,(2E)-
    • 6208-91-9

  • Applications

    2-Dodecenoic acid, methyl ester, (2E)- is used mainly as an intermediate in the synthesis of fragrance compounds and specialty polymers; it can function as a fragrance ingredient or scent carrier in perfumery and cosmetic formulations; in cosmetics and personal care it may act as an emollient or solvent component; in industrial manufacturing it serves as a building block for ester-based polymers and fragrance-related intermediates; in coatings and inks it can be used as a processing aid or formulation component to influence texture and odor; it may also be evaluated as a feedstock for ester-based lubricants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3248.29
    methanol 2736.17
    isopropanol 3041.96
    water 0.01
    ethyl acetate 4094.67
    n-propanol 2921.07
    acetone 6043.59
    n-butanol 2378.65
    acetonitrile 2516.07
    DMF 3446.79
    toluene 1361.66
    isobutanol 2054.68
    1,4-dioxane 3794.81
    methyl acetate 2438.59
    THF 6046.53
    2-butanone 4560.51
    n-pentanol 1779.06
    sec-butanol 2834.7
    n-hexane 646.18
    ethylene glycol 113.72
    NMP 2290.04
    cyclohexane 1019.23
    DMSO 4574.97
    n-butyl acetate 2533.98
    n-octanol 464.49
    chloroform 4717.14
    n-propyl acetate 2678.05
    acetic acid 1174.8
    dichloromethane 5393.6
    cyclohexanone 5327.2
    propylene glycol 377.47
    isopropyl acetate 2389.17
    DMAc 2080.47
    2-ethoxyethanol 1921.45
    isopentanol 2083.97
    n-heptane 191.29
    ethyl formate 1339.2
    1,2-dichloroethane 4650.03
    n-hexanol 1389.77
    2-methoxyethanol 2962.05
    isobutyl acetate 1273.21
    tetrachloromethane 767.62
    n-pentyl acetate 1316.81
    transcutol 5361.59
    n-heptanol 488.78
    ethylbenzene 638.64
    MIBK 1896.35
    2-propoxyethanol 1903.64
    tert-butanol 3530.72
    MTBE 4457.63
    2-butoxyethanol 985.75
    propionic acid 1201.28
    o-xylene 631.28
    formic acid 166.51
    diethyl ether 5304.36
    m-xylene 785.75
    p-xylene 726.41
    chlorobenzene 1462.25
    dimethyl carbonate 430.51
    n-octane 65.81
    formamide 394.52
    cyclopentanone 4440.62
    2-pentanone 4237.12
    anisole 1098.0
    cyclopentyl methyl ether 3751.14
    gamma-butyrolactone 3478.55
    1-methoxy-2-propanol 2446.38
    pyridine 3410.37
    3-pentanone 2359.6
    furfural 2035.69
    n-dodecane 35.43
    diethylene glycol 774.38
    diisopropyl ether 1077.31
    tert-amyl alcohol 2851.32
    acetylacetone 2592.64
    n-hexadecane 43.74
    acetophenone 962.01
    methyl propionate 2288.03
    isopentyl acetate 2006.92
    trichloroethylene 6112.48
    n-nonanol 401.1
    cyclohexanol 2501.25
    benzyl alcohol 851.24
    2-ethylhexanol 892.27
    isooctanol 457.09
    dipropyl ether 1670.72
    1,2-dichlorobenzene 1207.49
    ethyl lactate 533.78
    propylene carbonate 1492.16
    n-methylformamide 1403.78
    2-pentanol 2019.88
    n-pentane 404.37
    1-propoxy-2-propanol 1665.58
    1-methoxy-2-propyl acetate 1698.07
    2-(2-methoxypropoxy) propanol 784.7
    mesitylene 474.57
    ε-caprolactone 3306.09
    p-cymene 307.12
    epichlorohydrin 4754.14
    1,1,1-trichloroethane 3658.07
    2-aminoethanol 581.93
    morpholine-4-carbaldehyde 2118.99
    sulfolane 3552.99
    2,2,4-trimethylpentane 146.07
    2-methyltetrahydrofuran 6059.77
    n-hexyl acetate 1383.22
    isooctane 119.09
    2-(2-butoxyethoxy)ethanol 1203.22
    sec-butyl acetate 1675.84
    tert-butyl acetate 2236.98
    decalin 256.52
    glycerin 361.73
    diglyme 2410.18
    acrylic acid 626.4
    isopropyl myristate 430.5
    n-butyric acid 2556.68
    acetyl acetate 1277.04
    di(2-ethylhexyl) phthalate 312.62
    ethyl propionate 2030.62
    nitromethane 2436.77
    1,2-diethoxyethane 2651.91
    benzonitrile 1194.05
    trioctyl phosphate 234.88
    1-bromopropane 3638.54
    gamma-valerolactone 4323.98
    n-decanol 264.16
    triethyl phosphate 416.25
    4-methyl-2-pentanol 854.05
    propionitrile 2350.95
    vinylene carbonate 1136.87
    1,1,2-trichlorotrifluoroethane 2161.33
    DMS 777.74
    cumene 360.38
    2-octanol 400.37
    2-hexanone 2666.8
    octyl acetate 513.38
    limonene 605.83
    1,2-dimethoxyethane 3551.21
    ethyl orthosilicate 439.52
    tributyl phosphate 338.56
    diacetone alcohol 1840.31
    N,N-dimethylaniline 625.97
    acrylonitrile 1952.55
    aniline 1384.25
    1,3-propanediol 1040.59
    bromobenzene 1711.87
    dibromomethane 4180.39
    1,1,2,2-tetrachloroethane 4974.24
    2-methyl-cyclohexyl acetate 873.23
    tetrabutyl urea 439.62
    diisobutyl methanol 480.13
    2-phenylethanol 759.62
    styrene 928.1
    dioctyl adipate 605.12
    dimethyl sulfate 664.61
    ethyl butyrate 1531.35
    methyl lactate 560.71
    butyl lactate 754.14
    diethyl carbonate 753.03
    propanediol butyl ether 761.35
    triethyl orthoformate 823.5
    p-tert-butyltoluene 293.86
    methyl 4-tert-butylbenzoate 656.33
    morpholine 6266.83
    tert-butylamine 2283.73
    n-dodecanol 187.87
    dimethoxymethane 2434.73
    ethylene carbonate 1098.88
    cyrene 626.07
    2-ethoxyethyl acetate 1510.75
    2-ethylhexyl acetate 1483.65
    1,2,4-trichlorobenzene 1330.1
    4-methylpyridine 3180.69
    dibutyl ether 1337.8
    2,6-dimethyl-4-heptanol 480.13
    DEF 3498.51
    dimethyl isosorbide 1344.53
    tetrachloroethylene 2945.86
    eugenol 619.89
    triacetin 938.37
    span 80 763.19
    1,4-butanediol 383.44
    1,1-dichloroethane 4743.92
    2-methyl-1-pentanol 1513.9
    methyl formate 722.49
    2-methyl-1-butanol 2000.27
    n-decane 76.25
    butyronitrile 2840.26
    3,7-dimethyl-1-octanol 547.71
    1-chlorooctane 466.07
    1-chlorotetradecane 132.04
    n-nonane 83.64
    undecane 48.41
    tert-butylcyclohexane 215.07
    cyclooctane 209.75
    cyclopentanol 2149.06
    tetrahydropyran 7422.64
    tert-amyl methyl ether 2553.36
    2,5,8-trioxanonane 1337.42
    1-hexene 2357.01
    2-isopropoxyethanol 1490.91
    2,2,2-trifluoroethanol 223.99
    methyl butyrate 2844.0

    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