2-Tridecenoic Acid

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  • Identifiers

    CAS number
    6969-16-0

    Molecular formula
    C13H24O2

    SMILES
    CCCCCCCCCC/C=C/C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 91.07%
    Waxy 68.49%
    Green 60.59%
    Dairy 57.4%
    Oily 53.94%
    Milky 45.15%
    Fruity 43.42%
    Citrus 39.46%
    Creamy 38.48%
    Buttery 33.09%

     

    Flavor
    Fatty 62.52%
    Waxy 62.17%
    Fruity 47.8%
    Sweet 47.66%
    Fat 40.92%
    Oily 38.28%
    Creamy 34.68%
    Soapy 32.03%
    Green 29.92%
    Coconut 29.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.25 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 161.06 ˚C est.

  • Synonyms

    • 2-Tridecenoic acid
    • (E)-Tridec-2-enoic acid
    • 6969-16-0
    • 32466-55-0
    • 2-Tridecenoic Acid ,
    • 3-n-decyl acrylic acid
    • trans-2-Tridecenoic acid
    • 2-Tridecenoic acid, (2E)-
    • (2E)-2-Tridecenoic acid
    • (2E)-tridec-2-enoic acid
    • L5X07YC9IV
    • 2-Tridecenoic acid, (E)-
    • C13:1n-11
    • (E)-2-Tridecenoic acid
    • (Z)-tridec-2-enoic acid
    • UNII-L5X07YC9IV
    • Tridecenoic acid
    • EINECS 251-062-2
    • (2E)-2-Tridecenoic acid #
    • SCHEMBL1768111
    • CHEMBL4474796
    • CHEBI:184969
    • DTXSID501313980
    • 132636-26-1
    • LMFA01030044
    • MFCD00020487
    • NSC 66204
    • AKOS015839096
    • HY-W127562
    • CS-0185784
    • NS00059256
    • T0759
    • Q27282748
    • 678-508-2

  • Applications

    2-Tridecenoic Acid (CAS 6969-16-0) is a long-chain unsaturated fatty acid commonly used as a synthetic intermediate for ester formation in fragrance and flavor applications, enabling fragrance ingredient synthesis. It also serves as a building block for cosmetic and personal-care esters to provide emollient properties and texture. In industrial manufacturing, it can act as a precursor for polyester synthesis or as a source for specialty plasticizers and lubricant additives derived from fatty acids. In coatings, inks, and cleaning formulations, it can be converted into surfactants or fatty-acid-derived additives that improve wetting, dispersion, and film formation. It may be evaluated for other specialty chemical applications in research and formulation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1294.49
    methanol 1168.3
    isopropanol 1273.27
    water 0.01
    ethyl acetate 654.83
    n-propanol 1053.31
    acetone 1357.0
    n-butanol 905.51
    acetonitrile 264.05
    DMF 1337.74
    toluene 224.95
    isobutanol 793.3
    1,4-dioxane 715.18
    methyl acetate 364.34
    THF 2678.2
    2-butanone 997.89
    n-pentanol 770.37
    sec-butanol 897.36
    n-hexane 399.59
    ethylene glycol 55.94
    NMP 940.56
    cyclohexane 209.35
    DMSO 2146.04
    n-butyl acetate 798.34
    n-octanol 228.0
    chloroform 603.37
    n-propyl acetate 677.45
    acetic acid 286.21
    dichloromethane 659.66
    cyclohexanone 1312.95
    propylene glycol 212.47
    isopropyl acetate 607.93
    DMAc 816.1
    2-ethoxyethanol 764.08
    isopentanol 887.63
    n-heptane 100.11
    ethyl formate 251.87
    1,2-dichloroethane 784.02
    n-hexanol 740.47
    2-methoxyethanol 1088.51
    isobutyl acetate 459.31
    tetrachloromethane 126.71
    n-pentyl acetate 464.74
    transcutol 1972.86
    n-heptanol 284.85
    ethylbenzene 162.01
    MIBK 720.34
    2-propoxyethanol 935.56
    tert-butanol 1439.99
    MTBE 1289.54
    2-butoxyethanol 504.1
    propionic acid 348.08
    o-xylene 156.34
    formic acid 56.85
    diethyl ether 1153.37
    m-xylene 210.03
    p-xylene 190.33
    chlorobenzene 240.46
    dimethyl carbonate 102.81
    n-octane 33.89
    formamide 115.19
    cyclopentanone 1487.32
    2-pentanone 1203.38
    anisole 300.52
    cyclopentyl methyl ether 1336.48
    gamma-butyrolactone 1025.88
    1-methoxy-2-propanol 1158.88
    pyridine 541.4
    3-pentanone 534.23
    furfural 546.57
    n-dodecane 18.08
    diethylene glycol 393.47
    diisopropyl ether 370.45
    tert-amyl alcohol 985.7
    acetylacetone 728.92
    n-hexadecane 21.3
    acetophenone 296.78
    methyl propionate 469.75
    isopentyl acetate 757.16
    trichloroethylene 900.79
    n-nonanol 203.27
    cyclohexanol 765.5
    benzyl alcohol 256.71
    2-ethylhexanol 427.54
    isooctanol 260.34
    dipropyl ether 681.47
    1,2-dichlorobenzene 231.84
    ethyl lactate 214.54
    propylene carbonate 444.18
    n-methylformamide 408.61
    2-pentanol 783.28
    n-pentane 171.7
    1-propoxy-2-propanol 831.66
    1-methoxy-2-propyl acetate 650.9
    2-(2-methoxypropoxy) propanol 356.9
    mesitylene 153.17
    ε-caprolactone 826.74
    p-cymene 108.83
    epichlorohydrin 1257.1
    1,1,1-trichloroethane 520.1
    2-aminoethanol 314.81
    morpholine-4-carbaldehyde 737.05
    sulfolane 1475.03
    2,2,4-trimethylpentane 68.41
    2-methyltetrahydrofuran 1813.71
    n-hexyl acetate 536.28
    isooctane 68.61
    2-(2-butoxyethoxy)ethanol 593.13
    sec-butyl acetate 507.5
    tert-butyl acetate 782.77
    decalin 97.38
    glycerin 202.7
    diglyme 959.12
    acrylic acid 169.22
    isopropyl myristate 182.97
    n-butyric acid 767.57
    acetyl acetate 220.61
    di(2-ethylhexyl) phthalate 137.72
    ethyl propionate 479.7
    nitromethane 424.19
    1,2-diethoxyethane 856.24
    benzonitrile 256.84
    trioctyl phosphate 122.7
    1-bromopropane 699.73
    gamma-valerolactone 1299.59
    n-decanol 143.84
    triethyl phosphate 158.53
    4-methyl-2-pentanol 431.37
    propionitrile 347.12
    vinylene carbonate 269.36
    1,1,2-trichlorotrifluoroethane 610.48
    DMS 216.14
    cumene 126.65
    2-octanol 202.47
    2-hexanone 897.22
    octyl acetate 217.82
    limonene 226.05
    1,2-dimethoxyethane 1160.42
    ethyl orthosilicate 174.91
    tributyl phosphate 155.77
    diacetone alcohol 833.61
    N,N-dimethylaniline 232.84
    acrylonitrile 280.59
    aniline 296.62
    1,3-propanediol 500.3
    bromobenzene 256.8
    dibromomethane 565.26
    1,1,2,2-tetrachloroethane 894.35
    2-methyl-cyclohexyl acetate 355.76
    tetrabutyl urea 211.21
    diisobutyl methanol 243.39
    2-phenylethanol 308.41
    styrene 193.45
    dioctyl adipate 246.69
    dimethyl sulfate 210.56
    ethyl butyrate 472.4
    methyl lactate 214.24
    butyl lactate 321.42
    diethyl carbonate 208.91
    propanediol butyl ether 408.98
    triethyl orthoformate 306.36
    p-tert-butyltoluene 117.36
    methyl 4-tert-butylbenzoate 273.44
    morpholine 1460.11
    tert-butylamine 952.04
    n-dodecanol 104.52
    dimethoxymethane 837.78
    ethylene carbonate 258.78
    cyrene 309.38
    2-ethoxyethyl acetate 467.88
    2-ethylhexyl acetate 565.13
    1,2,4-trichlorobenzene 263.19
    4-methylpyridine 593.94
    dibutyl ether 470.17
    2,6-dimethyl-4-heptanol 243.39
    DEF 922.07
    dimethyl isosorbide 633.69
    tetrachloroethylene 524.15
    eugenol 263.31
    triacetin 318.2
    span 80 356.3
    1,4-butanediol 191.88
    1,1-dichloroethane 705.11
    2-methyl-1-pentanol 616.7
    methyl formate 171.6
    2-methyl-1-butanol 741.24
    n-decane 38.37
    butyronitrile 582.97
    3,7-dimethyl-1-octanol 288.83
    1-chlorooctane 187.06
    1-chlorotetradecane 58.12
    n-nonane 40.72
    undecane 25.27
    tert-butylcyclohexane 98.55
    cyclooctane 63.46
    cyclopentanol 838.98
    tetrahydropyran 1662.17
    tert-amyl methyl ether 778.57
    2,5,8-trioxanonane 574.97
    1-hexene 948.1
    2-isopropoxyethanol 622.95
    2,2,2-trifluoroethanol 57.4
    methyl butyrate 686.53

    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