Dioctyl decanedioate

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  • Identifiers

    CAS number
    122-62-3

    Molecular formula
    C26H50O4

    SMILES
    CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 66.1%
    Fatty 60.03%
    Fruity 55.53%
    Waxy 45.87%
    Winey 43.89%
    Cognac 34.9%
    Sweet 33.56%
    Floral 32.18%
    Odorless 28.96%
    Creamy 28.19%

     

    Flavor
    Waxy 70.53%
    Fruity 59.06%
    Oily 53.86%
    Sweet 48.1%
    Soapy 45.22%
    Fatty 44.72%
    Creamy 39.4%
    Mild 37.16%
    Wine 36.12%
    Floral 33.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    7.34 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    450°C

    Flash point

    • 205.52 ˚C est.

  • Synonyms

    • Di-n-octyl sebacate
    • Dioctyl decanedioate
    • Decanedioic acid, dioctyl ester
    • Witamol 500
    • Sebacic acid, dioctyl ester
    • UNII-CG4EO6A0O2
    • EINECS 219-411-3
    • CG4EO6A0O2
    • DTXSID0047537
    • NSC-16205
    • DTXCID8027537
    • NSC 16205
    • DECANEDIOIC ACID, 1,10-DIOCTYL ESTER
    • RefChem:134498
    • 122-62-3
    • Bis(2-ethylhexyl) ester, decanedionic acid
    • Bis(2-ethylhexyl) ester, sebacic acid
    • Bis-(2-ethylhexyl)ester kyseliny sebakove
    • Bis-(2-ethylhexyl)ester kyseliny sebakove [Czech]
    • Decanedioic acid, di-(2-ethylhexyl) ester
    • Dioctyl sebacate
    • Dioctyl sebacate (VAN)
    • ERGOPLAST SNO
    • NSC 68878
    • PLASTHALL DOS
    • PLEXOL 201
    • SEBACIC ACID DI(2-ETHYLHEXYL) ESTER
    • VJHINFRRDQUWOJ-UHFFFAOYSA-N
    • 2432-87-3
    • 1,10-dioctyl decanedioate
    • MFCD00059269
    • decanedioic acid dioctyl ester
    • Sebacic Acid Di-n-octyl Ester
    • Di-n-octylsebacate
    • Di-n-octyl Decanedioate
    • SCHEMBL37168
    • Dioctyl sebacate, AldrichCPR
    • orb1987275
    • CHEMBL3187412
    • NSC16205
    • Tox21_300523
    • AKOS015839870
    • AT25398
    • FD33354
    • MSK002109-1000H
    • MSK161883-1000H
    • NCGC00248083-01
    • NCGC00254334-01
    • BS-32173
    • SY110499
    • CAS-2432-87-3
    • CS-0187380
    • NS00021919
    • S0028
    • Dioctyl sebacate Solution in Hexane, 1000ug/mL
    • Q27275447
    • Bis(2-ethylhexyl)sebacate Solution in Hexane, 1000ug/mL
    • 122-62-3

  • Applications

    Dioctyl decanedioate (DOA, CAS 122-62-3) is primarily used as a plasticizer for PVC and other polymers, improving flexibility and processability of materials such as PVC, polyurethane, and polyester. It is also used as a plasticizer and solvent in cosmetic and personal care formulations. Additionally, DOA serves as a processing aid and plasticizer in coatings and inks, helping with flow, film formation, and adhesion. It is employed as an intermediate in the production of other adipate plasticizers and in adhesive and sealant formulations to tune softness and durability. With its stability and compatibility with plastics, DOA is an important component of the plasticizer and polymer additive portfolio.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.24
    methanol 15.62
    isopropanol 10.75
    water 0.12
    ethyl acetate 142.42
    n-propanol 17.04
    acetone 98.31
    n-butanol 19.55
    acetonitrile 40.59
    DMF 160.49
    toluene 79.03
    isobutanol 18.13
    1,4-dioxane 149.46
    methyl acetate 102.59
    THF 404.83
    2-butanone 136.27
    n-pentanol 21.43
    sec-butanol 23.37
    n-hexane 13.27
    ethylene glycol 1.89
    NMP 736.81
    cyclohexane 70.34
    DMSO 232.39
    n-butyl acetate 141.49
    n-octanol 39.95
    chloroform 617.09
    n-propyl acetate 170.66
    acetic acid 63.17
    dichloromethane 736.4
    cyclohexanone 522.51
    propylene glycol 4.7
    isopropyl acetate 131.47
    DMAc 474.16
    2-ethoxyethanol 61.44
    isopentanol 28.61
    n-heptane 10.9
    ethyl formate 67.17
    1,2-dichloroethane 410.0
    n-hexanol 18.82
    2-methoxyethanol 55.35
    isobutyl acetate 102.44
    tetrachloromethane 127.08
    n-pentyl acetate 273.69
    transcutol 437.5
    n-heptanol 31.64
    ethylbenzene 58.76
    MIBK 125.73
    2-propoxyethanol 61.06
    tert-butanol 28.07
    MTBE 74.37
    2-butoxyethanol 102.11
    propionic acid 54.73
    o-xylene 79.94
    formic acid 16.9
    diethyl ether 55.82
    m-xylene 60.62
    p-xylene 92.51
    chlorobenzene 180.02
    dimethyl carbonate 52.54
    n-octane 7.28
    formamide 38.6
    cyclopentanone 497.02
    2-pentanone 133.57
    anisole 115.38
    cyclopentyl methyl ether 225.98
    gamma-butyrolactone 486.31
    1-methoxy-2-propanol 58.12
    pyridine 235.21
    3-pentanone 142.12
    furfural 385.29
    n-dodecane 4.39
    diethylene glycol 24.36
    diisopropyl ether 34.59
    tert-amyl alcohol 50.21
    acetylacetone 237.17
    n-hexadecane 5.48
    acetophenone 196.02
    methyl propionate 113.53
    isopentyl acetate 145.72
    trichloroethylene 808.18
    n-nonanol 41.97
    cyclohexanol 78.75
    benzyl alcohol 60.92
    2-ethylhexanol 30.71
    isooctanol 35.31
    dipropyl ether 71.7
    1,2-dichlorobenzene 266.85
    ethyl lactate 62.12
    propylene carbonate 286.05
    n-methylformamide 59.95
    2-pentanol 19.46
    n-pentane 7.19
    1-propoxy-2-propanol 71.19
    1-methoxy-2-propyl acetate 156.09
    2-(2-methoxypropoxy) propanol 120.33
    mesitylene 48.27
    ε-caprolactone 459.9
    p-cymene 44.53
    epichlorohydrin 488.68
    1,1,1-trichloroethane 449.68
    2-aminoethanol 6.74
    morpholine-4-carbaldehyde 351.81
    sulfolane 922.04
    2,2,4-trimethylpentane 11.63
    2-methyltetrahydrofuran 311.96
    n-hexyl acetate 244.48
    isooctane 4.98
    2-(2-butoxyethoxy)ethanol 144.09
    sec-butyl acetate 136.36
    tert-butyl acetate 204.09
    decalin 28.15
    glycerin 11.92
    diglyme 417.65
    acrylic acid 46.52
    isopropyl myristate 71.71
    n-butyric acid 110.77
    acetyl acetate 133.64
    di(2-ethylhexyl) phthalate 66.97
    ethyl propionate 156.0
    nitromethane 192.32
    1,2-diethoxyethane 182.98
    benzonitrile 104.56
    trioctyl phosphate 44.16
    1-bromopropane 162.92
    gamma-valerolactone 638.14
    n-decanol 25.33
    triethyl phosphate 115.22
    4-methyl-2-pentanol 19.26
    propionitrile 45.62
    vinylene carbonate 231.66
    1,1,2-trichlorotrifluoroethane 313.48
    DMS 139.57
    cumene 43.09
    2-octanol 32.95
    2-hexanone 140.95
    octyl acetate 92.33
    limonene 77.16
    1,2-dimethoxyethane 201.72
    ethyl orthosilicate 109.79
    tributyl phosphate 69.3
    diacetone alcohol 145.14
    N,N-dimethylaniline 93.61
    acrylonitrile 56.39
    aniline 66.47
    1,3-propanediol 14.34
    bromobenzene 239.61
    dibromomethane 390.81
    1,1,2,2-tetrachloroethane 708.74
    2-methyl-cyclohexyl acetate 161.75
    tetrabutyl urea 117.65
    diisobutyl methanol 27.05
    2-phenylethanol 52.47
    styrene 70.8
    dioctyl adipate 148.08
    dimethyl sulfate 160.81
    ethyl butyrate 167.14
    methyl lactate 48.96
    butyl lactate 144.74
    diethyl carbonate 102.1
    propanediol butyl ether 75.37
    triethyl orthoformate 142.59
    p-tert-butyltoluene 40.16
    methyl 4-tert-butylbenzoate 211.01
    morpholine 186.93
    tert-butylamine 21.12
    n-dodecanol 17.23
    dimethoxymethane 93.26
    ethylene carbonate 189.08
    cyrene 158.7
    2-ethoxyethyl acetate 293.89
    2-ethylhexyl acetate 135.78
    1,2,4-trichlorobenzene 330.08
    4-methylpyridine 224.76
    dibutyl ether 115.06
    2,6-dimethyl-4-heptanol 27.05
    DEF 233.21
    dimethyl isosorbide 325.81
    tetrachloroethylene 465.16
    eugenol 148.36
    triacetin 305.09
    span 80 113.8
    1,4-butanediol 8.32
    1,1-dichloroethane 268.77
    2-methyl-1-pentanol 33.62
    methyl formate 48.97
    2-methyl-1-butanol 30.82
    n-decane 10.75
    butyronitrile 51.22
    3,7-dimethyl-1-octanol 42.86
    1-chlorooctane 60.14
    1-chlorotetradecane 16.84
    n-nonane 10.11
    undecane 6.38
    tert-butylcyclohexane 17.45
    cyclooctane 17.68
    cyclopentanol 76.37
    tetrahydropyran 216.83
    tert-amyl methyl ether 97.87
    2,5,8-trioxanonane 226.2
    1-hexene 32.26
    2-isopropoxyethanol 56.71
    2,2,2-trifluoroethanol 48.64
    methyl butyrate 230.95

    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