28-Methyl-27-nonacosenoic acid

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  • Identifiers

    CAS number
    194345-53-4

    Molecular formula
    C30H58O2

    SMILES
    CC(=CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 78.96%
    Fatty 60.64%
    Oily 40.39%
    Odorless 32.47%
    Fishy 18.69%
    Sweet 18.42%
    Balsamic 18.22%
    Creamy 17.43%
    Savory 16.86%
    Woody 16.17%

     

    Flavor
    Waxy 49.0%
    Fatty 40.28%
    Mild 36.95%
    Bland 32.73%
    Faint 31.59%
    Fat 26.73%
    Oily 25.0%
    Slightly waxy 24.96%
    Odorless 24.62%
    Alkane 23.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.9

    pKa est.
    9.35 (weak base)

    Molecular weight
    450.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    535°C

    Melting point expt.

    • 104 °C

    Flash point

    • 256.05 ˚C est.

  • Synonyms

    • 28-Methyl-27-nonacosenoic acid
    • 194345-53-4
    • RefChem:267501
    • 28-methylnonacos-27-enoic acid
    • DTXSID101305595
    • 194345-53-4

  • Applications

    28-Methyl-27-nonacosenoic acid (CAS 194345-53-4) is a long-chain unsaturated fatty acid commonly used as a building block for the synthesis of long-chain esters that serve as emollients and fragrance carriers in cosmetics and personal care. It also functions as a starting material for specialty lubricants and processing aids in industrial manufacturing. In coatings, inks and plastics, it can act as a waxy component or rheology modifier, helping with slip and film formation. Additionally, it can be a precursor for surface-active agents or emulsifiers used in cleaning formulations, with use governed by applicable local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.81
    methanol 0.96
    isopropanol 0.75
    water 0.01
    ethyl acetate 5.78
    n-propanol 1.26
    acetone 3.6
    n-butanol 1.59
    acetonitrile 0.82
    DMF 8.57
    toluene 3.72
    isobutanol 1.32
    1,4-dioxane 9.19
    methyl acetate 3.77
    THF 39.81
    2-butanone 6.61
    n-pentanol 2.27
    sec-butanol 1.78
    n-hexane 2.17
    ethylene glycol 0.08
    NMP 47.83
    cyclohexane 5.61
    DMSO 12.71
    n-butyl acetate 12.93
    n-octanol 5.65
    chloroform 33.16
    n-propyl acetate 12.32
    acetic acid 2.19
    dichloromethane 27.21
    cyclohexanone 27.81
    propylene glycol 0.36
    isopropyl acetate 8.62
    DMAc 33.44
    2-ethoxyethanol 5.53
    isopentanol 2.54
    n-heptane 2.91
    ethyl formate 2.83
    1,2-dichloroethane 15.58
    n-hexanol 2.65
    2-methoxyethanol 3.8
    isobutyl acetate 10.75
    tetrachloromethane 8.74
    n-pentyl acetate 26.5
    transcutol 60.65
    n-heptanol 4.77
    ethylbenzene 5.68
    MIBK 9.81
    2-propoxyethanol 7.74
    tert-butanol 2.64
    MTBE 7.97
    2-butoxyethanol 13.92
    propionic acid 2.29
    o-xylene 5.3
    formic acid 0.55
    diethyl ether 3.73
    m-xylene 4.19
    p-xylene 7.36
    chlorobenzene 7.13
    dimethyl carbonate 2.69
    n-octane 1.76
    formamide 1.01
    cyclopentanone 30.43
    2-pentanone 7.14
    anisole 10.1
    cyclopentyl methyl ether 19.61
    gamma-butyrolactone 26.09
    1-methoxy-2-propanol 5.64
    pyridine 9.91
    3-pentanone 7.91
    furfural 18.31
    n-dodecane 0.91
    diethylene glycol 2.19
    diisopropyl ether 4.07
    tert-amyl alcohol 4.68
    acetylacetone 12.17
    n-hexadecane 1.09
    acetophenone 15.46
    methyl propionate 5.56
    isopentyl acetate 17.08
    trichloroethylene 32.15
    n-nonanol 7.04
    cyclohexanol 4.89
    benzyl alcohol 4.32
    2-ethylhexanol 5.13
    isooctanol 6.37
    dipropyl ether 13.2
    1,2-dichlorobenzene 12.62
    ethyl lactate 6.59
    propylene carbonate 17.84
    n-methylformamide 2.05
    2-pentanol 1.82
    n-pentane 0.93
    1-propoxy-2-propanol 11.96
    1-methoxy-2-propyl acetate 19.09
    2-(2-methoxypropoxy) propanol 23.94
    mesitylene 4.43
    ε-caprolactone 29.59
    p-cymene 6.65
    epichlorohydrin 27.23
    1,1,1-trichloroethane 21.93
    2-aminoethanol 0.45
    morpholine-4-carbaldehyde 23.47
    sulfolane 65.62
    2,2,4-trimethylpentane 2.31
    2-methyltetrahydrofuran 23.71
    n-hexyl acetate 25.69
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 24.64
    sec-butyl acetate 13.06
    tert-butyl acetate 20.09
    decalin 4.53
    glycerin 0.91
    diglyme 54.79
    acrylic acid 1.62
    isopropyl myristate 10.89
    n-butyric acid 5.72
    acetyl acetate 5.63
    di(2-ethylhexyl) phthalate 8.74
    ethyl propionate 11.96
    nitromethane 5.12
    1,2-diethoxyethane 24.15
    benzonitrile 4.82
    trioctyl phosphate 6.39
    1-bromopropane 10.2
    gamma-valerolactone 41.37
    n-decanol 4.35
    triethyl phosphate 16.14
    4-methyl-2-pentanol 2.65
    propionitrile 1.58
    vinylene carbonate 11.07
    1,1,2-trichlorotrifluoroethane 22.01
    DMS 10.56
    cumene 5.61
    2-octanol 5.34
    2-hexanone 13.07
    octyl acetate 11.27
    limonene 10.68
    1,2-dimethoxyethane 19.85
    ethyl orthosilicate 17.93
    tributyl phosphate 9.06
    diacetone alcohol 16.3
    N,N-dimethylaniline 11.6
    acrylonitrile 1.5
    aniline 3.0
    1,3-propanediol 1.02
    bromobenzene 9.5
    dibromomethane 18.4
    1,1,2,2-tetrachloroethane 39.98
    2-methyl-cyclohexyl acetate 25.64
    tetrabutyl urea 16.16
    diisobutyl methanol 6.0
    2-phenylethanol 5.43
    styrene 4.91
    dioctyl adipate 19.62
    dimethyl sulfate 9.82
    ethyl butyrate 19.06
    methyl lactate 3.54
    butyl lactate 19.28
    diethyl carbonate 10.43
    propanediol butyl ether 10.83
    triethyl orthoformate 23.79
    p-tert-butyltoluene 6.66
    methyl 4-tert-butylbenzoate 31.77
    morpholine 12.67
    tert-butylamine 2.28
    n-dodecanol 2.94
    dimethoxymethane 6.45
    ethylene carbonate 9.71
    cyrene 23.49
    2-ethoxyethyl acetate 27.05
    2-ethylhexyl acetate 16.74
    1,2,4-trichlorobenzene 16.56
    4-methylpyridine 9.33
    dibutyl ether 17.78
    2,6-dimethyl-4-heptanol 6.0
    DEF 12.53
    dimethyl isosorbide 61.23
    tetrachloroethylene 21.73
    eugenol 20.81
    triacetin 32.5
    span 80 20.44
    1,4-butanediol 0.64
    1,1-dichloroethane 11.32
    2-methyl-1-pentanol 3.97
    methyl formate 1.67
    2-methyl-1-butanol 2.53
    n-decane 2.32
    butyronitrile 2.23
    3,7-dimethyl-1-octanol 7.93
    1-chlorooctane 8.91
    1-chlorotetradecane 2.65
    n-nonane 2.16
    undecane 1.35
    tert-butylcyclohexane 3.82
    cyclooctane 2.36
    cyclopentanol 4.92
    tetrahydropyran 14.97
    tert-amyl methyl ether 11.41
    2,5,8-trioxanonane 36.44
    1-hexene 3.95
    2-isopropoxyethanol 6.02
    2,2,2-trifluoroethanol 1.63
    methyl butyrate 16.36

    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