Traumatic Acid

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  • Identifiers

    CAS number
    6402-36-4

    Molecular formula
    C12H20O4

    SMILES
    C(CCCCC(=O)O)CCC/C=C/C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 67.7%
    Dairy 38.66%
    Sour 37.32%
    Waxy 36.76%
    Milky 35.04%
    Buttery 32.03%
    Oily 30.4%
    Creamy 29.84%
    Odorless 29.47%
    Cheesy 28.6%

     

    Flavor
    Fatty 52.22%
    Waxy 50.81%
    Fruity 44.05%
    Oily 35.55%
    Sweet 33.82%
    Odorless 33.4%
    Sour 32.58%
    Cheese 30.19%
    Creamy 28.22%
    Green 27.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.17 (neutral)

    Molecular weight
    228.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Melting point expt.

    • 165.5 °C

    Flash point

    • 207.62 ˚C est.

  • Synonyms

    • Traumatic acid
    • 6402-36-4
    • Dodec-2-enedioic acid
    • trans-2-dodecenedioic acid
    • (E)-dodec-2-enedioic acid
    • 2E-dodecenedioic acid
    • (2E)-Dodecenedioic acid
    • L7ND24937H
    • 2-dodecene-1,12-dicarboxylic acid
    • FEMA NO. 4944
    • CHEBI:545687
    • DTXSID00863778
    • NSC-8125
    • RefChem:190693
    • DTXCID30909390
    • 229-019-4
    • trans-Traumatic acid
    • 2-Dodecenedioic acid
    • TRAUMATICACID
    • (2E)-dodec-2-enedioic acid
    • Dodecanedioic acid-2-ene
    • MFCD00004443
    • 1-Decene-1,10-dicarboxylic acid
    • 2-Dodecenedioic acid, (2E)-
    • NSC 8125
    • 2-Dodecenedioic acid, (E)-
    • NSC8125
    • Traumatate
    • UNII-L7ND24937H
    • 2-dodecendioate
    • trau-matic acid
    • Trans-traumatate
    • (E)-2-Dodecenedioic Acid; trans-2-Dodecenedioic Acid; trans-Traumatic Acid
    • 2-Dodecenedioate
    • 2E-dodecenedioate
    • dodec-2-enedioate
    • dodec-2c-enedioate
    • dodec-2t-enedioate
    • 2-dodecendioic acid
    • EINECS 229-019-4
    • trans-2-dodecenedioate
    • (Z)-2-dodecenedioate
    • dodec-2c-enedioic acid
    • dodec-2t-enedioic acid
    • 2(E)-dodecenedioic acid
    • (Z)-2-dodecenedioic acid
    • trans-2-Dodecene-dioic acid
    • TRAUMATIC ACID [MI]
    • (2E)-2-Dodecenedioic acid
    • SCHEMBL38779
    • CHEMBL470062
    • orb1689987
    • (2E)-2-Dodecenedioic acid #
    • HMS3649M22
    • trans-2-Dodecene-1,12-dioic Acid
    • LMFA01170002
    • AKOS028109062
    • EBC-618362
    • FD106327
    • LS-14128
    • DB-257149
    • HY-119358
    • CS-0067597
    • D0029
    • S6163
    • D89581
    • SR-01000946624
    • Q7835820
    • SR-01000946624-1
    • 6402-36-4

  • Applications

    Traumatic acid (CAS 6402-36-4) is a naturally occurring oxylipin produced in wounded plant tissues; in industrial and research contexts its main applications are as a plant physiology research tool and as an analytical reference standard for oxylipin analysis by LC-MS/GC, it is used as a model compound for studying fatty acid oxylipin biosynthesis pathways and their relation to jasmonates, and may serve as a starting material for the synthesis of lipid-derived specialty compounds in organic chemistry; it can also function as an educational reference in teaching laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.16
    methanol 163.02
    isopropanol 50.37
    water 0.16
    ethyl acetate 16.51
    n-propanol 49.17
    acetone 45.21
    n-butanol 42.49
    acetonitrile 5.19
    DMF 272.15
    toluene 5.17
    isobutanol 31.18
    1,4-dioxane 32.72
    methyl acetate 12.69
    THF 202.17
    2-butanone 27.1
    n-pentanol 41.05
    sec-butanol 30.81
    n-hexane 2.14
    ethylene glycol 30.07
    NMP 234.7
    cyclohexane 1.18
    DMSO 597.37
    n-butyl acetate 26.14
    n-octanol 15.4
    chloroform 8.97
    n-propyl acetate 22.12
    acetic acid 51.7
    dichloromethane 8.99
    cyclohexanone 66.71
    propylene glycol 58.33
    isopropyl acetate 20.98
    DMAc 239.12
    2-ethoxyethanol 115.93
    isopentanol 47.06
    n-heptane 1.0
    ethyl formate 13.72
    1,2-dichloroethane 15.32
    n-hexanol 33.24
    2-methoxyethanol 190.93
    isobutyl acetate 17.46
    tetrachloromethane 2.23
    n-pentyl acetate 18.27
    transcutol 288.61
    n-heptanol 17.7
    ethylbenzene 7.11
    MIBK 38.74
    2-propoxyethanol 101.95
    tert-butanol 79.56
    MTBE 25.96
    2-butoxyethanol 57.43
    propionic acid 32.66
    o-xylene 9.5
    formic acid 43.0
    diethyl ether 12.21
    m-xylene 9.28
    p-xylene 8.12
    chlorobenzene 5.61
    dimethyl carbonate 12.65
    n-octane 0.6
    formamide 64.14
    cyclopentanone 110.23
    2-pentanone 35.27
    anisole 21.54
    cyclopentyl methyl ether 57.92
    gamma-butyrolactone 105.62
    1-methoxy-2-propanol 161.67
    pyridine 22.01
    3-pentanone 17.73
    furfural 77.84
    n-dodecane 0.55
    diethylene glycol 91.05
    diisopropyl ether 7.42
    tert-amyl alcohol 55.77
    acetylacetone 53.54
    n-hexadecane 0.62
    acetophenone 29.59
    methyl propionate 21.42
    isopentyl acetate 33.29
    trichloroethylene 25.51
    n-nonanol 14.79
    cyclohexanol 34.81
    benzyl alcohol 27.73
    2-ethylhexanol 19.21
    isooctanol 15.88
    dipropyl ether 13.6
    1,2-dichlorobenzene 8.93
    ethyl lactate 25.81
    propylene carbonate 44.23
    n-methylformamide 60.59
    2-pentanol 26.78
    n-pentane 0.98
    1-propoxy-2-propanol 71.71
    1-methoxy-2-propyl acetate 49.38
    2-(2-methoxypropoxy) propanol 70.0
    mesitylene 7.76
    ε-caprolactone 58.9
    p-cymene 6.49
    epichlorohydrin 78.71
    1,1,1-trichloroethane 8.35
    2-aminoethanol 79.94
    morpholine-4-carbaldehyde 143.62
    sulfolane 258.94
    2,2,4-trimethylpentane 1.61
    2-methyltetrahydrofuran 67.84
    n-hexyl acetate 27.62
    isooctane 1.44
    2-(2-butoxyethoxy)ethanol 99.18
    sec-butyl acetate 18.71
    tert-butyl acetate 41.47
    decalin 2.21
    glycerin 102.92
    diglyme 143.34
    acrylic acid 28.85
    isopropyl myristate 11.65
    n-butyric acid 46.87
    acetyl acetate 11.98
    di(2-ethylhexyl) phthalate 17.45
    ethyl propionate 18.44
    nitromethane 55.83
    1,2-diethoxyethane 35.81
    benzonitrile 14.33
    trioctyl phosphate 12.63
    1-bromopropane 6.62
    gamma-valerolactone 151.91
    n-decanol 10.86
    triethyl phosphate 15.11
    4-methyl-2-pentanol 25.47
    propionitrile 7.74
    vinylene carbonate 26.88
    1,1,2-trichlorotrifluoroethane 85.23
    DMS 20.89
    cumene 7.49
    2-octanol 10.9
    2-hexanone 32.95
    octyl acetate 15.55
    limonene 9.46
    1,2-dimethoxyethane 120.88
    ethyl orthosilicate 15.27
    tributyl phosphate 15.53
    diacetone alcohol 98.72
    N,N-dimethylaniline 26.12
    acrylonitrile 11.19
    aniline 14.91
    1,3-propanediol 93.55
    bromobenzene 4.77
    dibromomethane 6.91
    1,1,2,2-tetrachloroethane 28.77
    2-methyl-cyclohexyl acetate 27.27
    tetrabutyl urea 25.91
    diisobutyl methanol 13.24
    2-phenylethanol 26.07
    styrene 6.46
    dioctyl adipate 24.11
    dimethyl sulfate 43.78
    ethyl butyrate 20.1
    methyl lactate 41.37
    butyl lactate 30.89
    diethyl carbonate 11.49
    propanediol butyl ether 70.45
    triethyl orthoformate 18.64
    p-tert-butyltoluene 6.71
    methyl 4-tert-butylbenzoate 41.81
    morpholine 76.31
    tert-butylamine 33.34
    n-dodecanol 7.57
    dimethoxymethane 90.03
    ethylene carbonate 21.13
    cyrene 73.92
    2-ethoxyethyl acetate 30.41
    2-ethylhexyl acetate 22.29
    1,2,4-trichlorobenzene 11.99
    4-methylpyridine 23.79
    dibutyl ether 12.77
    2,6-dimethyl-4-heptanol 13.24
    DEF 56.61
    dimethyl isosorbide 115.15
    tetrachloroethylene 17.88
    eugenol 44.65
    triacetin 36.93
    span 80 55.43
    1,4-butanediol 39.08
    1,1-dichloroethane 7.1
    2-methyl-1-pentanol 40.21
    methyl formate 28.16
    2-methyl-1-butanol 35.8
    n-decane 0.95
    butyronitrile 12.36
    3,7-dimethyl-1-octanol 17.3
    1-chlorooctane 4.84
    1-chlorotetradecane 2.11
    n-nonane 0.83
    undecane 0.7
    tert-butylcyclohexane 2.35
    cyclooctane 0.71
    cyclopentanol 50.94
    tetrahydropyran 30.31
    tert-amyl methyl ether 27.51
    2,5,8-trioxanonane 115.45
    1-hexene 8.65
    2-isopropoxyethanol 73.53
    2,2,2-trifluoroethanol 15.56
    methyl butyrate 29.72

    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