Hexadecanedioic acid

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  • Identifiers

    CAS number
    505-54-4

    Molecular formula
    C16H30O4

    SMILES
    C(CCCCCCCC(=O)O)CCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 63.42%
    Waxy 59.78%
    Odorless 36.56%
    Oily 28.02%
    Creamy 26.02%
    Milky 23.74%
    Dairy 23.7%
    Sour 22.7%
    Savory 22.65%
    Meaty 20.97%

     

    Flavor
    Fatty 67.2%
    Waxy 60.38%
    Mild 36.94%
    Fat 36.55%
    Oily 36.46%
    Cheese 35.67%
    Odorless 35.63%
    Coconut 33.9%
    Creamy 33.32%
    Soapy 30.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    6.18 (neutral)

    Molecular weight
    286.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Melting point expt.

    • 120 - 123 °C

    Flash point

    • 218.44 ˚C est.

  • Synonyms

    • HEXADECANEDIOIC ACID
    • 505-54-4
    • Thapsic acid
    • 1,16-Hexadecanedioic acid
    • 1,14-Tetradecanedicarboxylic acid
    • SVZ90045Y2
    • NSC-15164
    • DTXSID2060129
    • CHEBI:73722
    • RefChem:145955
    • DTXCID9040847
    • 208-013-5
    • Hexadecane-1,16-dioic acid
    • MFCD00002746
    • Thaspic acid
    • n-Tetradecane-.omega.,.omega.'-dicarboxylic acid
    • NSC15164
    • 1,16-hexadecanedioate
    • HEXADECANEDIOICACID
    • Thapsate
    • Hexadecandioic acid
    • 1,14-tetradecane dicarboxylic acid
    • EINECS 208-013-5
    • NSC 15164
    • n-Tetradecane-omega,omega'-dicarboxylic acid
    • a,w-Tetradecanedicarboxylate
    • Hexadecanedioic acid, 96%
    • Hexadecanedioic acid (NIST)
    • SCHEMBL36069
    • 1,14-Tetradecanedicarboxylate
    • UNII-SVZ90045Y2
    • MEGxp0_000578
    • orb1301968
    • a,w-Tetradecanedicarboxylic acid
    • CHEMBL4519590
    • n-Tetradecane-w,w'-dicarboxylate
    • LMFA01170022
    • n-Tetradecane-w,w'-dicarboxylic acid
    • s6147
    • SBB067243
    • AKOS015839798
    • MSK2395-1000M
    • CS-W018947
    • EBC-616004
    • HY-W018161
    • AC-32524
    • AS-11659
    • FH140370
    • SY047592
    • Thapsic acid;Hexadecanedioate;Palmitic acid
    • DB-051793
    • H0293
    • NS00015590
    • Hexadecanedioic acid, purum, >=98.0% (GC)
    • C19615
    • 505H544
    • F212850
    • Hexadecanedioic acid Solution in Methanol, 1000ug/mL
    • Q27144068
    • RF8
    • 505-54-4

  • Applications

    Hexadecanedioic acid (CAS 505-54-4) is a long-chain aliphatic dicarboxylic acid primarily used as a monomer or building block in polymer synthesis. It serves as a feedstock for polyamides such as nylon 16,16 and for aliphatic polyesters and copolymers used in sustainable packaging, coatings, and adhesive resins. It is also commonly converted into diesters (long-chain plasticizers) or lubricant esters, providing flexibility and improved processing for PVC, paints, coatings, and related formulations. Additionally, it may be used as a crosslinking or chain-extending component in polyurethane or epoxy systems and as a precursor for specialty resins in industrial coatings. Usage is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.69
    methanol 8.92
    isopropanol 6.37
    water 0.02
    ethyl acetate 3.47
    n-propanol 5.55
    acetone 6.83
    n-butanol 5.55
    acetonitrile 1.77
    DMF 44.47
    toluene 3.12
    isobutanol 4.82
    1,4-dioxane 12.46
    methyl acetate 4.55
    THF 81.83
    2-butanone 7.74
    n-pentanol 6.78
    sec-butanol 5.8
    n-hexane 1.58
    ethylene glycol 1.31
    NMP 112.65
    cyclohexane 1.85
    DMSO 114.53
    n-butyl acetate 13.01
    n-octanol 8.45
    chloroform 21.42
    n-propyl acetate 11.98
    acetic acid 9.05
    dichloromethane 19.21
    cyclohexanone 35.38
    propylene glycol 4.25
    isopropyl acetate 6.72
    DMAc 83.51
    2-ethoxyethanol 20.02
    isopentanol 7.86
    n-heptane 1.21
    ethyl formate 4.91
    1,2-dichloroethane 14.45
    n-hexanol 6.82
    2-methoxyethanol 21.16
    isobutyl acetate 10.14
    tetrachloromethane 4.0
    n-pentyl acetate 18.85
    transcutol 101.21
    n-heptanol 7.64
    ethylbenzene 5.05
    MIBK 12.32
    2-propoxyethanol 24.34
    tert-butanol 13.37
    MTBE 9.27
    2-butoxyethanol 24.68
    propionic acid 7.74
    o-xylene 5.49
    formic acid 4.3
    diethyl ether 3.7
    m-xylene 4.45
    p-xylene 6.65
    chlorobenzene 5.73
    dimethyl carbonate 3.82
    n-octane 0.85
    formamide 7.5
    cyclopentanone 54.91
    2-pentanone 7.87
    anisole 10.38
    cyclopentyl methyl ether 22.96
    gamma-butyrolactone 53.02
    1-methoxy-2-propanol 24.79
    pyridine 12.72
    3-pentanone 6.6
    furfural 42.53
    n-dodecane 0.61
    diethylene glycol 13.64
    diisopropyl ether 3.39
    tert-amyl alcohol 12.78
    acetylacetone 16.59
    n-hexadecane 0.71
    acetophenone 18.67
    methyl propionate 5.37
    isopentyl acetate 17.09
    trichloroethylene 27.99
    n-nonanol 9.21
    cyclohexanol 10.24
    benzyl alcohol 9.44
    2-ethylhexanol 7.25
    isooctanol 8.06
    dipropyl ether 9.21
    1,2-dichlorobenzene 9.54
    ethyl lactate 11.7
    propylene carbonate 26.88
    n-methylformamide 10.18
    2-pentanol 4.61
    n-pentane 0.66
    1-propoxy-2-propanol 24.08
    1-methoxy-2-propyl acetate 20.56
    2-(2-methoxypropoxy) propanol 34.43
    mesitylene 4.65
    ε-caprolactone 35.38
    p-cymene 5.37
    epichlorohydrin 40.73
    1,1,1-trichloroethane 12.07
    2-aminoethanol 4.62
    morpholine-4-carbaldehyde 58.22
    sulfolane 169.45
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 30.51
    n-hexyl acetate 22.62
    isooctane 0.9
    2-(2-butoxyethoxy)ethanol 41.21
    sec-butyl acetate 10.29
    tert-butyl acetate 18.08
    decalin 2.66
    glycerin 9.87
    diglyme 74.32
    acrylic acid 6.74
    isopropyl myristate 9.6
    n-butyric acid 12.53
    acetyl acetate 4.88
    di(2-ethylhexyl) phthalate 11.69
    ethyl propionate 8.95
    nitromethane 13.99
    1,2-diethoxyethane 20.87
    benzonitrile 7.69
    trioctyl phosphate 8.35
    1-bromopropane 7.32
    gamma-valerolactone 74.89
    n-decanol 6.04
    triethyl phosphate 13.39
    4-methyl-2-pentanol 5.56
    propionitrile 2.54
    vinylene carbonate 17.13
    1,1,2-trichlorotrifluoroethane 44.09
    DMS 13.44
    cumene 5.52
    2-octanol 6.38
    2-hexanone 14.35
    octyl acetate 11.34
    limonene 8.1
    1,2-dimethoxyethane 39.97
    ethyl orthosilicate 13.62
    tributyl phosphate 11.15
    diacetone alcohol 30.86
    N,N-dimethylaniline 13.94
    acrylonitrile 3.58
    aniline 4.97
    1,3-propanediol 7.93
    bromobenzene 6.2
    dibromomethane 13.24
    1,1,2,2-tetrachloroethane 35.21
    2-methyl-cyclohexyl acetate 21.53
    tetrabutyl urea 20.19
    diisobutyl methanol 6.77
    2-phenylethanol 10.18
    styrene 4.72
    dioctyl adipate 19.21
    dimethyl sulfate 18.2
    ethyl butyrate 13.39
    methyl lactate 10.36
    butyl lactate 21.32
    diethyl carbonate 8.55
    propanediol butyl ether 26.26
    triethyl orthoformate 16.01
    p-tert-butyltoluene 5.63
    methyl 4-tert-butylbenzoate 31.38
    morpholine 23.75
    tert-butylamine 8.11
    n-dodecanol 4.18
    dimethoxymethane 16.19
    ethylene carbonate 13.26
    cyrene 40.43
    2-ethoxyethyl acetate 22.29
    2-ethylhexyl acetate 13.51
    1,2,4-trichlorobenzene 13.57
    4-methylpyridine 12.17
    dibutyl ether 12.42
    2,6-dimethyl-4-heptanol 6.77
    DEF 17.59
    dimethyl isosorbide 76.37
    tetrachloroethylene 20.08
    eugenol 28.2
    triacetin 30.93
    span 80 29.05
    1,4-butanediol 3.96
    1,1-dichloroethane 8.22
    2-methyl-1-pentanol 8.57
    methyl formate 6.14
    2-methyl-1-butanol 6.41
    n-decane 1.29
    butyronitrile 3.81
    3,7-dimethyl-1-octanol 9.27
    1-chlorooctane 6.14
    1-chlorotetradecane 2.2
    n-nonane 1.17
    undecane 0.85
    tert-butylcyclohexane 2.46
    cyclooctane 0.89
    cyclopentanol 14.89
    tetrahydropyran 15.71
    tert-amyl methyl ether 11.04
    2,5,8-trioxanonane 56.7
    1-hexene 4.33
    2-isopropoxyethanol 16.47
    2,2,2-trifluoroethanol 5.22
    methyl butyrate 15.16

    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