3-Methyl-pentadecanoic acid

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  • Identifiers

    CAS number
    35199-78-1

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCCCC(C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 80.23%
    Waxy 77.86%
    Oily 49.17%
    Dairy 37.87%
    Creamy 35.84%
    Milky 33.51%
    Citrus 30.67%
    Soapy 28.27%
    Meaty 27.59%
    Coconut 25.22%

     

    Flavor
    Fatty 56.09%
    Waxy 46.51%
    Mild 37.16%
    Fat 36.49%
    Oily 33.7%
    Bland 29.91%
    Coconut 29.39%
    Faint 29.26%
    Odorless 27.48%
    Slightly waxy 25.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    6.99 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 166.58 ˚C est.

  • Synonyms

    • 3-methyl-pentadecanoic acid
    • 3-methylpentadecanoic acid
    • 35199-78-1
    • DTXSID60415237
    • 3-Methylpentadecanoate
    • RefChem:94821
    • DTXCID10366088
    • beta-methylpentadecanoic acid
    • SCHEMBL3305087
    • SCHEMBL7106314
    • SCHEMBL8830215
    • CHEBI:179738
    • RCLBZEBFPBWRIH-UHFFFAOYSA-N
    • LMFA01020164
    • AKOS019577510
    • 35199-78-1

  • Applications

    3-Methyl-pentadecanoic acid (CAS 35199-78-1) is a branched C16 fatty acid with a methyl branch at position 3, commonly used as a chemical intermediate for the synthesis of esters and derivatives that function as surfactants in detergents and personal-care products; it can also serve as a lubricant additive or processing aid in industrial oils and metalworking fluids and as a plasticizer or specialty polymer additive in coatings and plastics; its ester derivatives may be used in cosmetics as emollients, and related esters can be explored as fragrance-related components in perfumery. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 972.96
    methanol 689.45
    isopropanol 1191.66
    water 0.02
    ethyl acetate 755.0
    n-propanol 877.26
    acetone 1058.25
    n-butanol 833.48
    acetonitrile 246.73
    DMF 1211.4
    toluene 240.99
    isobutanol 814.02
    1,4-dioxane 843.2
    methyl acetate 429.8
    THF 2952.75
    2-butanone 959.96
    n-pentanol 629.44
    sec-butanol 871.12
    n-hexane 317.98
    ethylene glycol 31.78
    NMP 1228.99
    cyclohexane 375.07
    DMSO 1496.65
    n-butyl acetate 1059.42
    n-octanol 295.0
    chloroform 983.66
    n-propyl acetate 879.09
    acetic acid 285.99
    dichloromethane 948.1
    cyclohexanone 1905.38
    propylene glycol 156.47
    isopropyl acetate 807.82
    DMAc 950.69
    2-ethoxyethanol 679.1
    isopentanol 926.8
    n-heptane 143.2
    ethyl formate 336.55
    1,2-dichloroethane 978.37
    n-hexanol 625.53
    2-methoxyethanol 973.7
    isobutyl acetate 641.82
    tetrachloromethane 255.62
    n-pentyl acetate 794.71
    transcutol 2062.01
    n-heptanol 342.61
    ethylbenzene 193.79
    MIBK 874.81
    2-propoxyethanol 901.63
    tert-butanol 1399.61
    MTBE 1402.98
    2-butoxyethanol 654.13
    propionic acid 395.11
    o-xylene 205.03
    formic acid 49.43
    diethyl ether 1014.38
    m-xylene 240.46
    p-xylene 264.39
    chlorobenzene 371.18
    dimethyl carbonate 114.01
    n-octane 49.95
    formamide 100.51
    cyclopentanone 1806.21
    2-pentanone 1134.01
    anisole 378.21
    cyclopentyl methyl ether 1412.45
    gamma-butyrolactone 1379.8
    1-methoxy-2-propanol 1133.93
    pyridine 661.82
    3-pentanone 608.61
    furfural 778.55
    n-dodecane 24.74
    diethylene glycol 334.16
    diisopropyl ether 431.89
    tert-amyl alcohol 1083.06
    acetylacetone 841.42
    n-hexadecane 30.5
    acetophenone 403.93
    methyl propionate 499.66
    isopentyl acetate 1032.95
    trichloroethylene 1206.73
    n-nonanol 268.95
    cyclohexanol 1000.47
    benzyl alcohol 292.32
    2-ethylhexanol 483.51
    isooctanol 349.66
    dipropyl ether 859.67
    1,2-dichlorobenzene 392.05
    ethyl lactate 260.56
    propylene carbonate 703.35
    n-methylformamide 398.61
    2-pentanol 754.41
    n-pentane 164.85
    1-propoxy-2-propanol 916.35
    1-methoxy-2-propyl acetate 766.55
    2-(2-methoxypropoxy) propanol 442.73
    mesitylene 192.29
    ε-caprolactone 1280.81
    p-cymene 158.65
    epichlorohydrin 1492.69
    1,1,1-trichloroethane 867.14
    2-aminoethanol 205.76
    morpholine-4-carbaldehyde 955.91
    sulfolane 2006.74
    2,2,4-trimethylpentane 85.18
    2-methyltetrahydrofuran 1932.3
    n-hexyl acetate 814.17
    isooctane 72.52
    2-(2-butoxyethoxy)ethanol 690.7
    sec-butyl acetate 701.54
    tert-butyl acetate 1035.62
    decalin 130.38
    glycerin 165.48
    diglyme 1225.78
    acrylic acid 184.86
    isopropyl myristate 282.8
    n-butyric acid 1006.66
    acetyl acetate 311.91
    di(2-ethylhexyl) phthalate 202.82
    ethyl propionate 625.67
    nitromethane 525.65
    1,2-diethoxyethane 950.19
    benzonitrile 337.54
    trioctyl phosphate 179.08
    1-bromopropane 814.14
    gamma-valerolactone 1924.55
    n-decanol 186.45
    triethyl phosphate 249.16
    4-methyl-2-pentanol 484.15
    propionitrile 350.38
    vinylene carbonate 433.87
    1,1,2-trichlorotrifluoroethane 774.9
    DMS 315.12
    cumene 162.08
    2-octanol 281.05
    2-hexanone 960.86
    octyl acetate 336.62
    limonene 329.3
    1,2-dimethoxyethane 1324.76
    ethyl orthosilicate 272.94
    tributyl phosphate 231.65
    diacetone alcohol 988.45
    N,N-dimethylaniline 288.73
    acrylonitrile 284.87
    aniline 316.07
    1,3-propanediol 458.12
    bromobenzene 391.46
    dibromomethane 763.92
    1,1,2,2-tetrachloroethane 1313.55
    2-methyl-cyclohexyl acetate 561.28
    tetrabutyl urea 310.74
    diisobutyl methanol 299.96
    2-phenylethanol 336.82
    styrene 221.36
    dioctyl adipate 385.59
    dimethyl sulfate 265.17
    ethyl butyrate 723.13
    methyl lactate 228.69
    butyl lactate 495.63
    diethyl carbonate 314.99
    propanediol butyl ether 498.91
    triethyl orthoformate 500.58
    p-tert-butyltoluene 165.57
    methyl 4-tert-butylbenzoate 447.52
    morpholine 1602.14
    tert-butylamine 983.06
    n-dodecanol 134.95
    dimethoxymethane 724.56
    ethylene carbonate 442.53
    cyrene 406.41
    2-ethoxyethyl acetate 666.8
    2-ethylhexyl acetate 786.6
    1,2,4-trichlorobenzene 441.95
    4-methylpyridine 717.53
    dibutyl ether 673.22
    2,6-dimethyl-4-heptanol 299.96
    DEF 1026.98
    dimethyl isosorbide 868.38
    tetrachloroethylene 785.88
    eugenol 359.47
    triacetin 558.6
    span 80 477.99
    1,4-butanediol 159.79
    1,1-dichloroethane 915.78
    2-methyl-1-pentanol 577.12
    methyl formate 186.01
    2-methyl-1-butanol 740.19
    n-decane 59.73
    butyronitrile 613.75
    3,7-dimethyl-1-octanol 359.1
    1-chlorooctane 279.53
    1-chlorotetradecane 81.57
    n-nonane 62.72
    undecane 36.3
    tert-butylcyclohexane 121.73
    cyclooctane 93.71
    cyclopentanol 1046.58
    tetrahydropyran 1921.27
    tert-amyl methyl ether 876.08
    2,5,8-trioxanonane 715.31
    1-hexene 734.6
    2-isopropoxyethanol 617.61
    2,2,2-trifluoroethanol 90.04
    methyl butyrate 905.85

    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