Heptacosane-1,27-dioic acid

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  • Identifiers

    CAS number
    5638-06-2

    Molecular formula
    C27H52O4

    SMILES
    C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.16%
    Fatty 64.01%
    Odorless 34.99%
    Oily 32.5%
    Creamy 20.01%
    Savory 18.88%
    Fishy 18.28%
    Animal 16.83%
    Woody 16.67%
    Meaty 16.47%

     

    Flavor
    Fatty 61.32%
    Waxy 54.06%
    Mild 41.62%
    Odorless 35.94%
    Fat 34.98%
    Bland 33.23%
    Faint 32.67%
    Coconut 31.12%
    Oily 30.43%
    Slightly waxy 26.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    7.95 (neutral)

    Molecular weight
    440.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Flash point

    • 277.07 ˚C est.

  • Synonyms

    • Heptacosanedioic acid
    • Heptacosane-1,27-dioic acid
    • 5638-06-2
    • DTXSID30204933
    • RefChem:145605
    • DTXCID60127424
    • MFCD31720550
    • SCHEMBL1683206
    • AKOS040768204
    • G67563
    • 5638-06-2

  • Applications

    Heptacosane-1,27-dioic acid (CAS 5638-06-2) is a long-chain difunctional carboxylic acid used mainly as a bi-functional monomer in the synthesis of high-molecular-weight aliphatic polyesters and polyurethanes, providing flexible, hydrophobic segments in engineering polymers. It is also employed as a reactive crosslinking component in coatings and adhesive formulations. As a precursor for lubricant esters and related specialty lubricants, it supports lubricant additive syntheses. It can serve as a starting material to prepare wax-like esters and cosmetic ingredients, aligning with performance requirements in personal care. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.44
    methanol 0.75
    isopropanol 0.33
    water 0.01
    ethyl acetate 0.98
    n-propanol 0.51
    acetone 1.13
    n-butanol 0.51
    acetonitrile 0.28
    DMF 5.48
    toluene 0.89
    isobutanol 0.42
    1,4-dioxane 2.54
    methyl acetate 1.01
    THF 13.26
    2-butanone 1.71
    n-pentanol 0.75
    sec-butanol 0.58
    n-hexane 0.36
    ethylene glycol 0.11
    NMP 28.45
    cyclohexane 0.72
    DMSO 9.35
    n-butyl acetate 2.57
    n-octanol 1.61
    chloroform 6.93
    n-propyl acetate 2.61
    acetic acid 1.38
    dichloromethane 5.71
    cyclohexanone 7.84
    propylene glycol 0.3
    isopropyl acetate 1.53
    DMAc 17.87
    2-ethoxyethanol 2.4
    isopentanol 0.68
    n-heptane 0.4
    ethyl formate 1.0
    1,2-dichloroethane 3.14
    n-hexanol 0.72
    2-methoxyethanol 2.08
    isobutyl acetate 2.02
    tetrachloromethane 1.67
    n-pentyl acetate 5.42
    transcutol 20.84
    n-heptanol 1.35
    ethylbenzene 1.22
    MIBK 1.89
    2-propoxyethanol 3.0
    tert-butanol 0.8
    MTBE 1.47
    2-butoxyethanol 4.75
    propionic acid 1.13
    o-xylene 1.31
    formic acid 0.69
    diethyl ether 0.65
    m-xylene 0.96
    p-xylene 1.68
    chlorobenzene 1.39
    dimethyl carbonate 1.1
    n-octane 0.29
    formamide 1.1
    cyclopentanone 10.1
    2-pentanone 1.52
    anisole 2.1
    cyclopentyl methyl ether 4.76
    gamma-butyrolactone 10.67
    1-methoxy-2-propanol 2.49
    pyridine 2.98
    3-pentanone 1.81
    furfural 8.59
    n-dodecane 0.17
    diethylene glycol 1.38
    diisopropyl ether 0.6
    tert-amyl alcohol 1.41
    acetylacetone 3.14
    n-hexadecane 0.2
    acetophenone 4.12
    methyl propionate 1.48
    isopentyl acetate 3.24
    trichloroethylene 7.22
    n-nonanol 1.86
    cyclohexanol 1.48
    benzyl alcohol 1.45
    2-ethylhexanol 1.15
    isooctanol 1.51
    dipropyl ether 2.16
    1,2-dichlorobenzene 2.7
    ethyl lactate 2.54
    propylene carbonate 6.46
    n-methylformamide 1.48
    2-pentanol 0.5
    n-pentane 0.16
    1-propoxy-2-propanol 3.83
    1-methoxy-2-propyl acetate 4.53
    2-(2-methoxypropoxy) propanol 8.58
    mesitylene 0.97
    ε-caprolactone 9.08
    p-cymene 1.43
    epichlorohydrin 7.62
    1,1,1-trichloroethane 3.71
    2-aminoethanol 0.34
    morpholine-4-carbaldehyde 11.61
    sulfolane 36.25
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 5.68
    n-hexyl acetate 5.83
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 8.8
    sec-butyl acetate 2.46
    tert-butyl acetate 3.91
    decalin 0.77
    glycerin 0.92
    diglyme 18.47
    acrylic acid 1.02
    isopropyl myristate 2.29
    n-butyric acid 1.94
    acetyl acetate 1.26
    di(2-ethylhexyl) phthalate 2.77
    ethyl propionate 2.45
    nitromethane 2.51
    1,2-diethoxyethane 5.15
    benzonitrile 1.45
    trioctyl phosphate 1.92
    1-bromopropane 1.57
    gamma-valerolactone 15.33
    n-decanol 1.11
    triethyl phosphate 4.06
    4-methyl-2-pentanol 0.66
    propionitrile 0.48
    vinylene carbonate 4.43
    1,1,2-trichlorotrifluoroethane 9.95
    DMS 3.36
    cumene 1.26
    2-octanol 1.32
    2-hexanone 2.87
    octyl acetate 2.7
    limonene 2.21
    1,2-dimethoxyethane 6.62
    ethyl orthosilicate 4.25
    tributyl phosphate 2.74
    diacetone alcohol 4.89
    N,N-dimethylaniline 3.06
    acrylonitrile 0.6
    aniline 0.95
    1,3-propanediol 0.61
    bromobenzene 1.68
    dibromomethane 3.41
    1,1,2,2-tetrachloroethane 9.8
    2-methyl-cyclohexyl acetate 5.47
    tetrabutyl urea 5.21
    diisobutyl methanol 1.21
    2-phenylethanol 1.6
    styrene 1.05
    dioctyl adipate 4.93
    dimethyl sulfate 4.77
    ethyl butyrate 3.56
    methyl lactate 1.95
    butyl lactate 6.13
    diethyl carbonate 2.23
    propanediol butyl ether 4.89
    triethyl orthoformate 5.07
    p-tert-butyltoluene 1.49
    methyl 4-tert-butylbenzoate 9.62
    morpholine 4.06
    tert-butylamine 0.61
    n-dodecanol 0.73
    dimethoxymethane 2.57
    ethylene carbonate 3.6
    cyrene 9.82
    2-ethoxyethyl acetate 6.45
    2-ethylhexyl acetate 3.14
    1,2,4-trichlorobenzene 3.82
    4-methylpyridine 2.5
    dibutyl ether 3.34
    2,6-dimethyl-4-heptanol 1.21
    DEF 3.77
    dimethyl isosorbide 21.6
    tetrachloroethylene 5.76
    eugenol 7.44
    triacetin 9.22
    span 80 6.76
    1,4-butanediol 0.39
    1,1-dichloroethane 1.92
    2-methyl-1-pentanol 1.11
    methyl formate 1.12
    2-methyl-1-butanol 0.72
    n-decane 0.41
    butyronitrile 0.58
    3,7-dimethyl-1-octanol 1.81
    1-chlorooctane 1.65
    1-chlorotetradecane 0.52
    n-nonane 0.38
    undecane 0.24
    tert-butylcyclohexane 0.65
    cyclooctane 0.33
    cyclopentanol 1.84
    tetrahydropyran 3.23
    tert-amyl methyl ether 2.31
    2,5,8-trioxanonane 13.22
    1-hexene 0.77
    2-isopropoxyethanol 2.08
    2,2,2-trifluoroethanol 1.11
    methyl butyrate 3.89

    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