Sebacic Acid

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  • Identifiers

    CAS number
    111-20-6

    Molecular formula
    C10H18O4

    SMILES
    C(CCCCC(=O)O)CCCC(=O)O

  • Odor profile

    Fragrance
    Fatty 50.82%
    Sour 44.69%
    Odorless 40.89%
    Cheesy 37.75%
    Waxy 33.46%
    Dairy 29.24%
    Milky 28.28%
    Creamy 26.84%
    Savory 25.6%
    Buttery 24.55%

     

    Flavor
    Fatty 54.08%
    Cheese 50.76%
    Sour 47.04%
    Waxy 45.1%
    Odorless 43.65%
    Rancid 39.51%
    Sweat 38.73%
    Oily 32.95%
    Mild 29.78%
    Fruity 29.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.39 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 274.1 °F (NTP, 1992)
    • 130.8 °C
    • 131 °C

    Boiling point

    • 563 °F at 100 mmHg (NTP, 1992)
    • 364.00 to 365.00 °C. @ 760.00 mm Hg
    • at 13.3kPa: 294 °C

    Flash point

    • 193.68 ˚C est.
    • 220 °C

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • 1.0 mg/mL
    • Solubility in water, g/100ml: 0.1 (poor)

  • Synonyms

    • sebacic acid
    • DECANEDIOIC ACID
    • 111-20-6
    • 1,8-Octanedicarboxylic acid
    • 1,10-Decanedioic acid
    • Sebacinsaure
    • Decanedicarboxylic acid
    • n-Decanedioic acid
    • Acide sebacique
    • Sebacinsaeure
    • USAF HC-1
    • Ipomic acid
    • Seracic acid
    • NSC 19492
    • UNII-97AN39ICTC
    • 1,8-dicarboxyoctane
    • CCRIS 2290
    • EINECS 203-845-5
    • 97AN39ICTC
    • BRN 1210591
    • DTXSID7026867
    • CHEBI:41865
    • AI3-09127
    • NSC19492
    • MFCD00004440
    • NSC-19492
    • octane-1,8-dicarboxylic acid
    • POLY(SEBACIC ANHYDRIDE)
    • DTXCID806867
    • EC 203-845-5
    • 4-02-00-02078 (Beilstein Handbook Reference)
    • Sebacinsaure [German]
    • Acide sebacique [French]
    • SEBACIC ACID (MART.)
    • SEBACIC ACID [MART.]
    • CAS-111-20-6
    • n-Decanedioate
    • Iponic acid
    • disodium-sebacate
    • 4-oxodecanedioate
    • 1,10-Decanedioate
    • DECANEDIOC ACID
    • Sebacic acid, 94%
    • Sebacic acid, 99%
    • Dicarboxylic acid C10
    • 1i8j
    • 1l6s
    • 1l6y
    • 1,8-Octanedicarboxylate
    • Sebacic acid [WHO-DD]
    • WLN: QV8VQ
    • SEBACIC ACID [MI]
    • SCHEMBL3977
    • NCIOpen2_008624
    • CHEMBL1232164
    • FEMA NO. 4943
    • 1,8-OCTANEDCARBOXYLIC ACID
    • Sebacic acid, >=95.0% (GC)
    • Tox21_201778
    • Tox21_303263
    • BBL011473
    • LMFA01170006
    • s5732
    • STL146585
    • AKOS000120056
    • CCG-266598
    • CS-W015503
    • DB07645
    • FS02334
    • GS-6713
    • HY-W014787
    • NCGC00164361-01
    • NCGC00164361-02
    • NCGC00164361-03
    • NCGC00257150-01
    • NCGC00259327-01
    • BP-27864
    • NCI60_001628
    • DB-121158
    • NS00011501
    • EN300-19796
    • C08277
    • Q413454
    • BRD-K66672047-304-01-3
    • Z104475420
    • 301CFA7E-7155-4D51-BD2F-EB921428B436
    • 203-845-5

  • Applications

    Decanedioic acid (sebacic acid) CAS 111-20-6 is a versatile building block used as a comonomer with hexamethylenediamine for nylon-6,10 and other engineering polyamides, as a precursor of non-toxic plasticizers that enhance the flexibility of PVC and bioplastics, and, after esterification, as the backbone of biodegradable lubricants, brake fluids and high-temperature hydraulic oils due to its high viscosity index and oxidative stability; in cosmetics its acid, zinc salt and esters function as skin-friendly emollients, pH buffers and matting agents; in coatings, inks and adhesives it forms polyols and polyesters that provide chemical resistance, toughness and corrosion protection; additionally, it serves as an intermediate for bio-based candles, rust inhibitors, surfactants, pharmaceuticals and agrochemicals, supporting the development of sustainable, environmentally benign materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.4
    methanol 89.0
    isopropanol 46.25
    water 0.22
    ethyl acetate 10.06
    n-propanol 36.05
    acetone 23.85
    n-butanol 31.79
    acetonitrile 4.96
    DMF 187.61
    toluene 4.03
    isobutanol 23.91
    1,4-dioxane 28.14
    methyl acetate 9.77
    THF 151.61
    2-butanone 17.34
    n-pentanol 27.33
    sec-butanol 25.63
    n-hexane 3.46
    ethylene glycol 21.89
    NMP 215.38
    cyclohexane 1.53
    DMSO 450.6
    n-butyl acetate 21.73
    n-octanol 15.52
    chloroform 13.99
    n-propyl acetate 16.24
    acetic acid 44.24
    dichloromethane 12.98
    cyclohexanone 54.62
    propylene glycol 41.47
    isopropyl acetate 14.26
    DMAc 178.03
    2-ethoxyethanol 69.61
    isopentanol 31.36
    n-heptane 1.51
    ethyl formate 12.21
    1,2-dichloroethane 15.95
    n-hexanol 23.66
    2-methoxyethanol 113.78
    isobutyl acetate 12.52
    tetrachloromethane 2.76
    n-pentyl acetate 17.62
    transcutol 199.36
    n-heptanol 14.9
    ethylbenzene 6.97
    MIBK 25.64
    2-propoxyethanol 65.02
    tert-butanol 66.78
    MTBE 20.49
    2-butoxyethanol 41.32
    propionic acid 29.73
    o-xylene 8.61
    formic acid 33.43
    diethyl ether 10.53
    m-xylene 7.66
    p-xylene 8.78
    chlorobenzene 6.07
    dimethyl carbonate 8.67
    n-octane 0.88
    formamide 47.41
    cyclopentanone 95.47
    2-pentanone 22.55
    anisole 17.78
    cyclopentyl methyl ether 43.54
    gamma-butyrolactone 99.06
    1-methoxy-2-propanol 96.91
    pyridine 19.5
    3-pentanone 12.55
    furfural 75.44
    n-dodecane 0.73
    diethylene glycol 60.39
    diisopropyl ether 6.37
    tert-amyl alcohol 45.28
    acetylacetone 36.2
    n-hexadecane 0.83
    acetophenone 26.87
    methyl propionate 13.13
    isopentyl acetate 27.64
    trichloroethylene 27.16
    n-nonanol 14.9
    cyclohexanol 27.24
    benzyl alcohol 21.75
    2-ethylhexanol 15.9
    isooctanol 13.38
    dipropyl ether 12.82
    1,2-dichlorobenzene 9.86
    ethyl lactate 20.78
    propylene carbonate 43.94
    n-methylformamide 46.24
    2-pentanol 20.59
    n-pentane 1.42
    1-propoxy-2-propanol 50.43
    1-methoxy-2-propyl acetate 34.87
    2-(2-methoxypropoxy) propanol 57.8
    mesitylene 7.16
    ε-caprolactone 53.1
    p-cymene 6.83
    epichlorohydrin 62.95
    1,1,1-trichloroethane 9.32
    2-aminoethanol 51.37
    morpholine-4-carbaldehyde 123.15
    sulfolane 245.78
    2,2,4-trimethylpentane 1.88
    2-methyltetrahydrofuran 55.69
    n-hexyl acetate 27.01
    isooctane 1.44
    2-(2-butoxyethoxy)ethanol 74.03
    sec-butyl acetate 13.43
    tert-butyl acetate 30.04
    decalin 2.81
    glycerin 71.59
    diglyme 110.85
    acrylic acid 27.15
    isopropyl myristate 11.8
    n-butyric acid 37.6
    acetyl acetate 9.78
    di(2-ethylhexyl) phthalate 17.35
    ethyl propionate 13.95
    nitromethane 45.34
    1,2-diethoxyethane 28.85
    benzonitrile 13.26
    trioctyl phosphate 12.3
    1-bromopropane 7.99
    gamma-valerolactone 121.4
    n-decanol 10.78
    triethyl phosphate 15.81
    4-methyl-2-pentanol 17.94
    propionitrile 6.69
    vinylene carbonate 28.8
    1,1,2-trichlorotrifluoroethane 72.72
    DMS 19.55
    cumene 7.7
    2-octanol 10.55
    2-hexanone 22.85
    octyl acetate 15.09
    limonene 9.69
    1,2-dimethoxyethane 85.05
    ethyl orthosilicate 15.64
    tributyl phosphate 16.3
    diacetone alcohol 65.77
    N,N-dimethylaniline 22.57
    acrylonitrile 10.09
    aniline 11.22
    1,3-propanediol 61.42
    bromobenzene 5.41
    dibromomethane 10.2
    1,1,2,2-tetrachloroethane 31.4
    2-methyl-cyclohexyl acetate 25.27
    tetrabutyl urea 26.49
    diisobutyl methanol 11.86
    2-phenylethanol 20.58
    styrene 6.34
    dioctyl adipate 23.26
    dimethyl sulfate 36.76
    ethyl butyrate 18.01
    methyl lactate 29.47
    butyl lactate 27.47
    diethyl carbonate 11.69
    propanediol butyl ether 56.33
    triethyl orthoformate 17.64
    p-tert-butyltoluene 7.0
    methyl 4-tert-butylbenzoate 38.15
    morpholine 59.45
    tert-butylamine 32.55
    n-dodecanol 7.68
    dimethoxymethane 53.18
    ethylene carbonate 21.31
    cyrene 60.54
    2-ethoxyethyl acetate 25.74
    2-ethylhexyl acetate 19.6
    1,2,4-trichlorobenzene 12.92
    4-methylpyridine 21.21
    dibutyl ether 13.47
    2,6-dimethyl-4-heptanol 11.86
    DEF 41.07
    dimethyl isosorbide 94.64
    tetrachloroethylene 19.89
    eugenol 39.05
    triacetin 34.6
    span 80 49.87
    1,4-butanediol 24.98
    1,1-dichloroethane 7.91
    2-methyl-1-pentanol 27.09
    methyl formate 22.52
    2-methyl-1-butanol 25.33
    n-decane 1.29
    butyronitrile 10.78
    3,7-dimethyl-1-octanol 16.36
    1-chlorooctane 5.98
    1-chlorotetradecane 2.62
    n-nonane 1.17
    undecane 0.94
    tert-butylcyclohexane 2.9
    cyclooctane 0.9
    cyclopentanol 44.04
    tetrahydropyran 27.25
    tert-amyl methyl ether 22.33
    2,5,8-trioxanonane 90.44
    1-hexene 9.95
    2-isopropoxyethanol 45.06
    2,2,2-trifluoroethanol 16.11
    methyl butyrate 23.09

    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