cis-9-Octadecenedioic acid

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  • Identifiers

    CAS number
    20701-68-2

    Molecular formula
    C18H32O4

    SMILES
    C(CCC/C=C\CCCCCCCC(=O)O)CCCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fatty 72.08%
    Waxy 57.77%
    Oily 36.9%
    Odorless 28.37%
    Dairy 27.31%
    Creamy 25.77%
    Milky 25.61%
    Sweet 23.73%
    Savory 22.94%
    Meaty 21.69%

     

    Flavor
    Fatty 62.23%
    Waxy 53.8%
    Oily 32.48%
    Fat 31.93%
    Mild 30.74%
    Creamy 28.81%
    Faint 27.56%
    Odorless 27.45%
    Soapy 27.18%
    Fruity 26.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.19 (neutral)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Flash point

    • 236.55 ˚C est.

  • Synonyms

    • Octadecenedioic acid
    • 9-Octadecenedioic acid, (9Z)-
    • 20701-68-2
    • 565ZMT5QRG
    • cis-9-octadecenedioic acid
    • ORISTAR ODDA
    • O.D.A.WHITE
    • DTXSID90885146
    • RefChem:855765
    • DTXCID001024544
    • 606-606-7
    • (9Z)-9-Octadecenedioic acid
    • (Z)-octadec-9-enedioic acid
    • UNII-565ZMT5QRG
    • 9Z-Octadecenedioic acid
    • octadec-9-ene-1,18-dioic-acid
    • octadecenedioate
    • (Z)-9-Octadecenedioic acid
    • (9Z)-octadec-9-enedioic acid
    • 9(Z)-Octadecenedioic acid
    • C18:1 DIOIC ACID
    • SCHEMBL864021
    • 9-Octadecenedioic acid, (Z)-
    • CHEBI:176959
    • SBLKVIQSIHEQOF-UPHRSURJSA-N
    • LMFA01170055
    • AKOS025401275
    • DB-247194
    • HY-166198
    • (Z)-9-OCTADECENE-1,18-DIOIC ACID
    • C19618
    • Q27261377
    • 20701-68-2

  • Applications

    cis-9-Octadecenedioic acid (CAS 20701-68-2) is primarily used as a diacid monomer for the production of polyesters and polyurethanes, enabling the synthesis of polymers with long, flexible chains for plastics and engineering materials. It can serve as a crosslinking component in coatings, paints, and inks to improve film properties and chemical resistance. Its long aliphatic chain and unsaturation permit derivative routes to specialty polymers and lubricant or plasticizer esters for plastics and rubbers. As a renewable, fatty-acid-derived building block, it supports bio-based or sustainable polymer platforms. Additionally, esters derived from this diacid can function as surfactant precursors or emulsifiers in formulating cleaners or adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.47
    methanol 7.29
    isopropanol 4.68
    water 0.01
    ethyl acetate 2.85
    n-propanol 4.54
    acetone 6.09
    n-butanol 4.76
    acetonitrile 1.11
    DMF 33.82
    toluene 2.71
    isobutanol 3.69
    1,4-dioxane 10.22
    methyl acetate 3.29
    THF 65.35
    2-butanone 6.46
    n-pentanol 6.11
    sec-butanol 4.77
    n-hexane 1.35
    ethylene glycol 0.84
    NMP 77.54
    cyclohexane 1.46
    DMSO 81.0
    n-butyl acetate 8.52
    n-octanol 6.97
    chloroform 13.54
    n-propyl acetate 8.18
    acetic acid 6.06
    dichloromethane 12.25
    cyclohexanone 24.88
    propylene glycol 3.1
    isopropyl acetate 4.88
    DMAc 80.41
    2-ethoxyethanol 18.28
    isopentanol 6.46
    n-heptane 0.95
    ethyl formate 3.22
    1,2-dichloroethane 9.62
    n-hexanol 5.8
    2-methoxyethanol 17.88
    isobutyl acetate 6.97
    tetrachloromethane 2.46
    n-pentyl acetate 12.63
    transcutol 106.01
    n-heptanol 6.16
    ethylbenzene 4.24
    MIBK 9.58
    2-propoxyethanol 20.66
    tert-butanol 10.06
    MTBE 7.56
    2-butoxyethanol 20.99
    propionic acid 4.83
    o-xylene 4.5
    formic acid 2.94
    diethyl ether 3.24
    m-xylene 3.69
    p-xylene 5.17
    chlorobenzene 3.49
    dimethyl carbonate 3.1
    n-octane 0.66
    formamide 4.92
    cyclopentanone 34.52
    2-pentanone 6.84
    anisole 8.6
    cyclopentyl methyl ether 18.38
    gamma-butyrolactone 29.25
    1-methoxy-2-propanol 21.62
    pyridine 9.25
    3-pentanone 5.73
    furfural 24.52
    n-dodecane 0.51
    diethylene glycol 11.24
    diisopropyl ether 2.7
    tert-amyl alcohol 10.17
    acetylacetone 12.25
    n-hexadecane 0.58
    acetophenone 13.33
    methyl propionate 4.45
    isopentyl acetate 11.14
    trichloroethylene 17.59
    n-nonanol 7.62
    cyclohexanol 7.99
    benzyl alcohol 7.52
    2-ethylhexanol 5.76
    isooctanol 6.52
    dipropyl ether 7.12
    1,2-dichlorobenzene 5.79
    ethyl lactate 8.69
    propylene carbonate 14.79
    n-methylformamide 6.92
    2-pentanol 3.92
    n-pentane 0.59
    1-propoxy-2-propanol 20.41
    1-methoxy-2-propyl acetate 15.76
    2-(2-methoxypropoxy) propanol 30.02
    mesitylene 3.64
    ε-caprolactone 23.77
    p-cymene 4.1
    epichlorohydrin 27.78
    1,1,1-trichloroethane 7.48
    2-aminoethanol 3.22
    morpholine-4-carbaldehyde 42.73
    sulfolane 97.03
    2,2,4-trimethylpentane 1.19
    2-methyltetrahydrofuran 22.64
    n-hexyl acetate 16.46
    isooctane 0.76
    2-(2-butoxyethoxy)ethanol 37.8
    sec-butyl acetate 7.32
    tert-butyl acetate 12.7
    decalin 2.16
    glycerin 7.17
    diglyme 63.25
    acrylic acid 4.03
    isopropyl myristate 7.3
    n-butyric acid 8.22
    acetyl acetate 3.28
    di(2-ethylhexyl) phthalate 8.81
    ethyl propionate 6.57
    nitromethane 9.1
    1,2-diethoxyethane 18.54
    benzonitrile 5.12
    trioctyl phosphate 5.96
    1-bromopropane 5.18
    gamma-valerolactone 51.8
    n-decanol 5.07
    triethyl phosphate 9.18
    4-methyl-2-pentanol 4.83
    propionitrile 1.83
    vinylene carbonate 9.29
    1,1,2-trichlorotrifluoroethane 29.55
    DMS 9.08
    cumene 4.46
    2-octanol 4.93
    2-hexanone 11.35
    octyl acetate 8.63
    limonene 6.23
    1,2-dimethoxyethane 34.34
    ethyl orthosilicate 10.05
    tributyl phosphate 7.85
    diacetone alcohol 23.42
    N,N-dimethylaniline 11.98
    acrylonitrile 2.35
    aniline 3.96
    1,3-propanediol 5.98
    bromobenzene 3.64
    dibromomethane 8.32
    1,1,2,2-tetrachloroethane 22.52
    2-methyl-cyclohexyl acetate 14.73
    tetrabutyl urea 15.02
    diisobutyl methanol 5.32
    2-phenylethanol 8.03
    styrene 3.73
    dioctyl adipate 14.48
    dimethyl sulfate 12.22
    ethyl butyrate 9.14
    methyl lactate 7.96
    butyl lactate 15.7
    diethyl carbonate 5.61
    propanediol butyl ether 23.06
    triethyl orthoformate 11.71
    p-tert-butyltoluene 4.24
    methyl 4-tert-butylbenzoate 24.14
    morpholine 19.67
    tert-butylamine 5.85
    n-dodecanol 3.45
    dimethoxymethane 15.25
    ethylene carbonate 7.37
    cyrene 31.76
    2-ethoxyethyl acetate 16.63
    2-ethylhexyl acetate 8.97
    1,2,4-trichlorobenzene 8.0
    4-methylpyridine 8.47
    dibutyl ether 10.26
    2,6-dimethyl-4-heptanol 5.32
    DEF 14.31
    dimethyl isosorbide 61.5
    tetrachloroethylene 13.05
    eugenol 22.36
    triacetin 22.26
    span 80 24.28
    1,4-butanediol 3.15
    1,1-dichloroethane 5.54
    2-methyl-1-pentanol 7.78
    methyl formate 4.05
    2-methyl-1-butanol 5.48
    n-decane 1.08
    butyronitrile 2.8
    3,7-dimethyl-1-octanol 7.47
    1-chlorooctane 4.7
    1-chlorotetradecane 1.7
    n-nonane 0.96
    undecane 0.7
    tert-butylcyclohexane 1.94
    cyclooctane 0.75
    cyclopentanol 10.19
    tetrahydropyran 12.59
    tert-amyl methyl ether 9.32
    2,5,8-trioxanonane 49.42
    1-hexene 3.75
    2-isopropoxyethanol 14.69
    2,2,2-trifluoroethanol 2.96
    methyl butyrate 10.69

    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