2-Dodecenoic acid

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  • Identifiers

    CAS number
    4412-16-2

    Molecular formula
    C12H22O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fatty 92.06%
    Waxy 70.52%
    Green 70.1%
    Dairy 62.03%
    Oily 54.78%
    Fruity 53.28%
    Milky 47.45%
    Creamy 41.12%
    Citrus 39.36%
    Buttery 35.75%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.37 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point est.
    154.51 ˚C

  • Synonyms

    • Dodec-2-enoic acid
    • (E)-dodec-2-enoic acid
    • trans-2-Dodecenoic acid
    • 32466-54-9
    • 2-Dodecenoic acid
    • 4412-16-2
    • (2E)-dodec-2-enoic acid
    • (2E)-2-Dodecenoic acid
    • Dodecenoic acid
    • 2-Dodecensaeure
    • trans-dodec-2-enoic acid
    • Dodec-2-ensaeure
    • 2E-Lauroleic acid
    • 2E-Dodecenoic acid
    • EINECS 224-569-1
    • 1289-45-8
    • CHEBI:38371
    • NSC 59856
    • C12:1n-10
    • (2Z)-2-Dodecenoic acid
    • (E)-2-dodecenoic acid
    • DTXSID80871073
    • 2t-Dodecensaeure
    • Dodec-2-enoicacid
    • MFCD00045906
    • Dodecen-(2t)-saeure
    • trans-2-lauroleic acid
    • 12:1, n-10 trans
    • C12:1, n-10 trans
    • CHEMBL4281333
    • CHEBI:37162
    • DTXCID80818746
    • DTXSID401343611
    • LMFA01030788
    • AKOS008105134
    • AS-57983
    • WS-00320
    • AI3-11152
    • C12:1
    • CS-0152270
    • D5660
    • EN300-65552
    • EN300-365600
    • G77635
    • W16764
    • Q27117056
    • Q27117632
    • Z336127680
    • 224-569-1
    • 3X1
    • 836-106-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1921.56
    methanol 1898.27
    isopropanol 1776.17
    water 0.01
    ethyl acetate 875.22
    n-propanol 1516.54
    acetone 1989.08
    n-butanol 1249.04
    acetonitrile 395.89
    DMF 1798.4
    toluene 268.58
    isobutanol 1051.06
    1,4-dioxane 912.59
    methyl acetate 484.04
    THF 3219.05
    2-butanone 1313.74
    n-pentanol 1022.61
    sec-butanol 1218.25
    n-hexane 462.39
    ethylene glycol 94.26
    NMP 1110.4
    cyclohexane 204.6
    DMSO 2838.73
    n-butyl acetate 929.03
    n-octanol 270.17
    chloroform 673.28
    n-propyl acetate 796.09
    acetic acid 407.84
    dichloromethane 740.67
    cyclohexanone 1552.65
    propylene glycol 317.09
    isopropyl acetate 736.34
    DMAc 954.69
    2-ethoxyethanol 968.09
    isopentanol 1125.04
    n-heptane 99.53
    ethyl formate 320.87
    1,2-dichloroethane 880.41
    n-hexanol 966.15
    2-methoxyethanol 1494.47
    isobutyl acetate 519.4
    tetrachloromethane 128.28
    n-pentyl acetate 487.53
    transcutol 2382.63
    n-heptanol 336.59
    ethylbenzene 184.0
    MIBK 867.44
    2-propoxyethanol 1183.14
    tert-butanol 1892.78
    MTBE 1582.12
    2-butoxyethanol 579.59
    propionic acid 469.38
    o-xylene 176.79
    formic acid 87.26
    diethyl ether 1472.26
    m-xylene 248.91
    p-xylene 210.52
    chlorobenzene 271.84
    dimethyl carbonate 131.64
    n-octane 34.4
    formamide 177.43
    cyclopentanone 1836.22
    2-pentanone 1547.51
    anisole 351.21
    cyclopentyl methyl ether 1655.6
    gamma-butyrolactone 1240.94
    1-methoxy-2-propanol 1495.89
    pyridine 653.54
    3-pentanone 678.27
    furfural 630.43
    n-dodecane 18.78
    diethylene glycol 533.0
    diisopropyl ether 445.48
    tert-amyl alcohol 1240.78
    acetylacetone 905.16
    n-hexadecane 22.04
    acetophenone 327.61
    methyl propionate 613.61
    isopentyl acetate 866.6
    trichloroethylene 1032.75
    n-nonanol 235.11
    cyclohexanol 932.9
    benzyl alcohol 308.61
    2-ethylhexanol 514.6
    isooctanol 293.69
    dipropyl ether 754.93
    1,2-dichlorobenzene 247.91
    ethyl lactate 247.6
    propylene carbonate 508.18
    n-methylformamide 592.92
    2-pentanol 1034.81
    n-pentane 196.02
    1-propoxy-2-propanol 996.18
    1-methoxy-2-propyl acetate 766.86
    2-(2-methoxypropoxy) propanol 409.1
    mesitylene 175.4
    ε-caprolactone 952.64
    p-cymene 117.53
    epichlorohydrin 1502.39
    1,1,1-trichloroethane 573.5
    2-aminoethanol 489.03
    morpholine-4-carbaldehyde 870.62
    sulfolane 1656.4
    2,2,4-trimethylpentane 76.97
    2-methyltetrahydrofuran 2274.25
    n-hexyl acetate 594.51
    isooctane 78.5
    2-(2-butoxyethoxy)ethanol 690.07
    sec-butyl acetate 572.56
    tert-butyl acetate 913.78
    decalin 103.26
    glycerin 289.02
    diglyme 1088.41
    acrylic acid 234.13
    isopropyl myristate 195.94
    n-butyric acid 989.86
    acetyl acetate 265.97
    di(2-ethylhexyl) phthalate 150.84
    ethyl propionate 567.5
    nitromethane 579.25
    1,2-diethoxyethane 981.09
    benzonitrile 303.68
    trioctyl phosphate 134.18
    1-bromopropane 783.22
    gamma-valerolactone 1518.3
    n-decanol 165.15
    triethyl phosphate 166.54
    4-methyl-2-pentanol 520.99
    propionitrile 479.46
    vinylene carbonate 313.14
    1,1,2-trichlorotrifluoroethane 706.5
    DMS 243.81
    cumene 137.58
    2-octanol 233.44
    2-hexanone 1076.77
    octyl acetate 236.98
    limonene 244.73
    1,2-dimethoxyethane 1408.12
    ethyl orthosilicate 184.27
    tributyl phosphate 166.8
    diacetone alcohol 1002.36
    N,N-dimethylaniline 258.59
    acrylonitrile 385.0
    aniline 373.14
    1,3-propanediol 710.65
    bromobenzene 284.38
    dibromomethane 623.22
    1,1,2,2-tetrachloroethane 981.4
    2-methyl-cyclohexyl acetate 376.06
    tetrabutyl urea 226.51
    diisobutyl methanol 277.22
    2-phenylethanol 366.3
    styrene 223.61
    dioctyl adipate 263.7
    dimethyl sulfate 249.55
    ethyl butyrate 524.61
    methyl lactate 271.16
    butyl lactate 351.99
    diethyl carbonate 226.46
    propanediol butyl ether 494.97
    triethyl orthoformate 326.68
    p-tert-butyltoluene 126.85
    methyl 4-tert-butylbenzoate 288.48
    morpholine 1844.77
    tert-butylamine 1221.96
    n-dodecanol 118.13
    dimethoxymethane 1098.02
    ethylene carbonate 300.92
    cyrene 341.46
    2-ethoxyethyl acetate 518.18
    2-ethylhexyl acetate 633.85
    1,2,4-trichlorobenzene 280.41
    4-methylpyridine 725.3
    dibutyl ether 514.46
    2,6-dimethyl-4-heptanol 277.22
    DEF 1149.23
    dimethyl isosorbide 692.21
    tetrachloroethylene 587.0
    eugenol 290.27
    triacetin 338.47
    span 80 399.73
    1,4-butanediol 272.45
    1,1-dichloroethane 820.65
    2-methyl-1-pentanol 785.43
    methyl formate 240.79
    2-methyl-1-butanol 956.14
    n-decane 39.14
    butyronitrile 757.95
    3,7-dimethyl-1-octanol 329.98
    1-chlorooctane 195.37
    1-chlorotetradecane 60.61
    n-nonane 41.82
    undecane 26.06
    tert-butylcyclohexane 109.18
    cyclooctane 64.15
    cyclopentanol 1050.04
    tetrahydropyran 2038.77
    tert-amyl methyl ether 937.2
    2,5,8-trioxanonane 651.01
    1-hexene 1194.48
    2-isopropoxyethanol 760.41
    2,2,2-trifluoroethanol 73.25
    methyl butyrate 806.24

    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
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.81%