2-Decylpropanedioic acid

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  • Identifiers

    CAS number
    4372-29-6

    Molecular formula
    C13H24O4

    SMILES
    CCCCCCCCCCC(C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 71.55%
    Waxy 57.77%
    Dairy 41.0%
    Oily 38.99%
    Milky 37.19%
    Sour 33.89%
    Cheesy 33.88%
    Creamy 32.16%
    Citrus 29.51%
    Green 29.07%

     

    Flavor
    Fatty 52.15%
    Waxy 45.55%
    Odorless 39.38%
    Mild 35.43%
    Cheese 30.27%
    Oily 29.92%
    Bland 26.54%
    Sour 25.07%
    Fat 24.53%
    Bay oil 23.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    5.06 (weak acid)

    Molecular weight
    244.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 180.64 ˚C est.

  • Synonyms

    • Decylmalonic acid
    • 2-decylpropanedioic acid
    • 4372-29-6
    • DTXSID30195918
    • RefChem:585596
    • DTXCID70118409
    • 224-469-8
    • 2-decylmalonic acid
    • 2-Decyl-malonic acid
    • EINECS 224-469-8
    • DECYLPROPANEDIOIC ACID
    • 2-decylmalonicacid
    • Undecandicarbonsaure
    • undecanedicarboxylic acid
    • SCHEMBL133518
    • SCHEMBL27574099
    • SBB057493
    • AKOS024368661
    • NS00031361
    • ST51003169
    • 4372-29-6

  • Applications

    2-Decylpropanedioic acid (CAS 4372-29-6) is primarily used as an organic synthesis intermediate, especially in malonate chemistry to access diesters and other 1,3-dicarbonyl building blocks. It serves as a hydrophobic, long-chain fragment in the preparation of specialty polymers and coatings, including polyester and polyamide precursors and related crosslinking agents. It may be evaluated as a precursor for fragrance or cosmetic ingredients where a long alkyl tail is advantageous, and it can serve as a stepping stone in pharmaceutical or agrochemical synthesis after suitable derivatization. In materials science, the diacid core can function as a reactive fragment in formulations of advanced materials with tailored hydrophobicity, while use in any particular application is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 286.72
    methanol 277.72
    isopropanol 280.78
    water 0.09
    ethyl acetate 93.88
    n-propanol 229.83
    acetone 256.02
    n-butanol 207.02
    acetonitrile 47.64
    DMF 790.34
    toluene 51.46
    isobutanol 199.52
    1,4-dioxane 186.34
    methyl acetate 83.46
    THF 1029.14
    2-butanone 177.03
    n-pentanol 176.45
    sec-butanol 193.82
    n-hexane 35.34
    ethylene glycol 54.48
    NMP 960.81
    cyclohexane 28.42
    DMSO 1611.96
    n-butyl acetate 145.81
    n-octanol 65.53
    chloroform 179.61
    n-propyl acetate 111.1
    acetic acid 149.56
    dichloromethane 165.44
    cyclohexanone 455.08
    propylene glycol 152.03
    isopropyl acetate 118.31
    DMAc 591.78
    2-ethoxyethanol 217.88
    isopentanol 219.61
    n-heptane 10.8
    ethyl formate 69.59
    1,2-dichloroethane 213.3
    n-hexanol 160.65
    2-methoxyethanol 366.54
    isobutyl acetate 96.82
    tetrachloromethane 35.65
    n-pentyl acetate 111.0
    transcutol 455.9
    n-heptanol 82.18
    ethylbenzene 47.43
    MIBK 193.96
    2-propoxyethanol 286.62
    tert-butanol 411.15
    MTBE 185.25
    2-butoxyethanol 170.21
    propionic acid 150.04
    o-xylene 61.91
    formic acid 61.36
    diethyl ether 105.68
    m-xylene 66.68
    p-xylene 63.78
    chlorobenzene 77.38
    dimethyl carbonate 56.05
    n-octane 5.67
    formamide 104.7
    cyclopentanone 718.33
    2-pentanone 205.66
    anisole 89.31
    cyclopentyl methyl ether 376.52
    gamma-butyrolactone 605.35
    1-methoxy-2-propanol 425.37
    pyridine 156.32
    3-pentanone 122.46
    furfural 303.97
    n-dodecane 4.22
    diethylene glycol 182.77
    diisopropyl ether 59.88
    tert-amyl alcohol 268.54
    acetylacetone 250.59
    n-hexadecane 5.01
    acetophenone 122.96
    methyl propionate 116.75
    isopentyl acetate 165.77
    trichloroethylene 303.58
    n-nonanol 61.75
    cyclohexanol 239.31
    benzyl alcohol 103.51
    2-ethylhexanol 92.23
    isooctanol 74.91
    dipropyl ether 82.49
    1,2-dichlorobenzene 88.42
    ethyl lactate 88.96
    propylene carbonate 261.67
    n-methylformamide 197.08
    2-pentanol 167.74
    n-pentane 19.64
    1-propoxy-2-propanol 230.93
    1-methoxy-2-propyl acetate 183.58
    2-(2-methoxypropoxy) propanol 159.87
    mesitylene 56.7
    ε-caprolactone 337.4
    p-cymene 38.79
    epichlorohydrin 493.68
    1,1,1-trichloroethane 156.69
    2-aminoethanol 165.01
    morpholine-4-carbaldehyde 464.0
    sulfolane 1261.32
    2,2,4-trimethylpentane 15.97
    2-methyltetrahydrofuran 473.8
    n-hexyl acetate 137.65
    isooctane 14.21
    2-(2-butoxyethoxy)ethanol 204.57
    sec-butyl acetate 90.33
    tert-butyl acetate 210.8
    decalin 24.16
    glycerin 184.9
    diglyme 328.24
    acrylic acid 111.86
    isopropyl myristate 54.94
    n-butyric acid 222.54
    acetyl acetate 65.7
    di(2-ethylhexyl) phthalate 65.37
    ethyl propionate 91.39
    nitromethane 193.25
    1,2-diethoxyethane 127.25
    benzonitrile 91.0
    trioctyl phosphate 53.39
    1-bromopropane 118.99
    gamma-valerolactone 613.98
    n-decanol 45.06
    triethyl phosphate 61.32
    4-methyl-2-pentanol 119.12
    propionitrile 67.16
    vinylene carbonate 154.76
    1,1,2-trichlorotrifluoroethane 317.8
    DMS 94.79
    cumene 44.84
    2-octanol 59.44
    2-hexanone 160.77
    octyl acetate 69.52
    limonene 64.94
    1,2-dimethoxyethane 305.15
    ethyl orthosilicate 59.12
    tributyl phosphate 62.73
    diacetone alcohol 348.35
    N,N-dimethylaniline 93.94
    acrylonitrile 77.57
    aniline 95.93
    1,3-propanediol 221.01
    bromobenzene 71.98
    dibromomethane 134.61
    1,1,2,2-tetrachloroethane 334.56
    2-methyl-cyclohexyl acetate 123.1
    tetrabutyl urea 95.96
    diisobutyl methanol 64.25
    2-phenylethanol 105.52
    styrene 46.68
    dioctyl adipate 93.26
    dimethyl sulfate 180.68
    ethyl butyrate 93.58
    methyl lactate 128.04
    butyl lactate 117.85
    diethyl carbonate 55.61
    propanediol butyl ether 173.8
    triethyl orthoformate 75.91
    p-tert-butyltoluene 40.36
    methyl 4-tert-butylbenzoate 148.0
    morpholine 380.01
    tert-butylamine 242.76
    n-dodecanol 33.35
    dimethoxymethane 280.96
    ethylene carbonate 138.78
    cyrene 212.87
    2-ethoxyethyl acetate 122.83
    2-ethylhexyl acetate 118.11
    1,2,4-trichlorobenzene 114.33
    4-methylpyridine 168.31
    dibutyl ether 67.64
    2,6-dimethyl-4-heptanol 64.25
    DEF 253.13
    dimethyl isosorbide 315.18
    tetrachloroethylene 188.57
    eugenol 131.21
    triacetin 124.71
    span 80 157.06
    1,4-butanediol 94.73
    1,1-dichloroethane 153.98
    2-methyl-1-pentanol 158.91
    methyl formate 98.76
    2-methyl-1-butanol 180.33
    n-decane 7.34
    butyronitrile 98.22
    3,7-dimethyl-1-octanol 74.82
    1-chlorooctane 40.1
    1-chlorotetradecane 15.09
    n-nonane 6.81
    undecane 5.4
    tert-butylcyclohexane 22.74
    cyclooctane 11.16
    cyclopentanol 367.52
    tetrahydropyran 301.04
    tert-amyl methyl ether 153.89
    2,5,8-trioxanonane 236.84
    1-hexene 97.03
    2-isopropoxyethanol 176.66
    2,2,2-trifluoroethanol 58.04
    methyl butyrate 140.25

    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