Methyl 14-methylpentadecanoate

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  • Identifiers

    CAS number
    5129-60-2

    Molecular formula
    C17H34O2

    SMILES
    CC(C)CCCCCCCCCCCCC(=O)OC

  • Odor profile

    Waxy 77.16%
    Fatty 69.57%
    Oily 58.5%
    Creamy 32.62%
    Sweet 32.59%
    Odorless 28.23%
    Dairy 25.51%
    Milky 24.96%
    Soapy 24.33%
    Fruity 23.85%

    Scent© AI

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.67 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point est.
    137.77 ˚C

  • Synonyms

    • Methyl 14-methylpentadecanoate
    • 5129-60-2
    • Pentadecanoic acid, 14-methyl-, methyl ester
    • 14-Methylpentadecanoic acid methyl ester
    • METHYL14-METHYLPENTADECANOATE
    • Methyl isohexadecanoate
    • SCHEMBL2259435
    • DTXSID80199289
    • Methyl 14-methylpentadecanoate #
    • CHEBI:157641
    • WAKCWJNDXBPEBP-UHFFFAOYSA-N
    • HY-N10507
    • AKOS040755719
    • PD078011
    • 14-methyl Pentadecanoic Acid methyl ester
    • NS00076544
    • B960C1EE-F6EB-4C1B-A297-24FE1DAB2747
    • Q63395534

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 404.38
    methanol 261.45
    isopropanol 586.75
    water 0.01
    ethyl acetate 1696.51
    n-propanol 487.05
    acetone 1095.65
    n-butanol 586.27
    acetonitrile 390.53
    DMF 951.9
    toluene 527.08
    isobutanol 500.8
    1,4-dioxane 1427.23
    methyl acetate 804.98
    THF 2926.2
    2-butanone 1378.43
    n-pentanol 410.08
    sec-butanol 618.56
    n-hexane 201.48
    ethylene glycol 10.9
    NMP 1308.21
    cyclohexane 626.34
    DMSO 984.78
    n-butyl acetate 1485.34
    n-octanol 275.44
    chloroform 2719.85
    n-propyl acetate 1587.28
    acetic acid 290.64
    dichloromethane 2581.88
    cyclohexanone 3011.84
    propylene glycol 57.94
    isopropyl acetate 1393.18
    DMAc 1242.65
    2-ethoxyethanol 711.48
    isopentanol 714.04
    n-heptane 136.59
    ethyl formate 558.36
    1,2-dichloroethane 1963.02
    n-hexanol 396.62
    2-methoxyethanol 802.98
    isobutyl acetate 957.06
    tetrachloromethane 562.75
    n-pentyl acetate 1249.77
    transcutol 2952.05
    n-heptanol 258.39
    ethylbenzene 369.79
    MIBK 1196.97
    2-propoxyethanol 753.87
    tert-butanol 968.15
    MTBE 1684.04
    2-butoxyethanol 632.21
    propionic acid 347.8
    o-xylene 407.15
    formic acid 32.28
    diethyl ether 1381.76
    m-xylene 409.97
    p-xylene 506.35
    chlorobenzene 808.52
    dimethyl carbonate 162.77
    n-octane 54.84
    formamide 78.13
    cyclopentanone 2288.67
    2-pentanone 1555.93
    anisole 695.57
    cyclopentyl methyl ether 1791.47
    gamma-butyrolactone 1813.91
    1-methoxy-2-propanol 919.34
    pyridine 1285.9
    3-pentanone 982.11
    furfural 1253.83
    n-dodecane 26.55
    diethylene glycol 230.13
    diisopropyl ether 551.47
    tert-amyl alcohol 914.83
    acetylacetone 1431.47
    n-hexadecane 34.48
    acetophenone 714.92
    methyl propionate 858.87
    isopentyl acetate 1430.9
    trichloroethylene 2924.12
    n-nonanol 267.19
    cyclohexanol 1002.74
    benzyl alcohol 415.77
    2-ethylhexanol 435.98
    isooctanol 304.37
    dipropyl ether 1014.88
    1,2-dichlorobenzene 856.38
    ethyl lactate 348.99
    propylene carbonate 1042.87
    n-methylformamide 304.85
    2-pentanol 552.81
    n-pentane 114.58
    1-propoxy-2-propanol 870.35
    1-methoxy-2-propyl acetate 1180.49
    2-(2-methoxypropoxy) propanol 559.35
    mesitylene 312.06
    ε-caprolactone 2187.31
    p-cymene 265.53
    epichlorohydrin 2377.99
    1,1,1-trichloroethane 2277.82
    2-aminoethanol 75.91
    morpholine-4-carbaldehyde 1336.99
    sulfolane 2229.89
    2,2,4-trimethylpentane 91.18
    2-methyltetrahydrofuran 2579.42
    n-hexyl acetate 1219.54
    isooctane 67.89
    2-(2-butoxyethoxy)ethanol 816.12
    sec-butyl acetate 1242.68
    tert-butyl acetate 1669.25
    decalin 187.94
    glycerin 76.2
    diglyme 1837.97
    acrylic acid 171.71
    isopropyl myristate 396.5
    n-butyric acid 1127.21
    acetyl acetate 746.79
    di(2-ethylhexyl) phthalate 253.53
    ethyl propionate 1233.84
    nitromethane 753.24
    1,2-diethoxyethane 1514.77
    benzonitrile 629.56
    trioctyl phosphate 196.64
    1-bromopropane 1419.86
    gamma-valerolactone 2838.79
    n-decanol 170.29
    triethyl phosphate 420.66
    4-methyl-2-pentanol 399.65
    propionitrile 545.21
    vinylene carbonate 716.56
    1,1,2-trichlorotrifluoroethane 1172.83
    DMS 537.67
    cumene 255.59
    2-octanol 264.18
    2-hexanone 1301.44
    octyl acetate 447.78
    limonene 542.19
    1,2-dimethoxyethane 1927.77
    ethyl orthosilicate 440.97
    tributyl phosphate 282.08
    diacetone alcohol 1171.92
    N,N-dimethylaniline 464.4
    acrylonitrile 456.32
    aniline 488.82
    1,3-propanediol 233.43
    bromobenzene 958.13
    dibromomethane 1829.81
    1,1,2,2-tetrachloroethane 2946.28
    2-methyl-cyclohexyl acetate 879.29
    tetrabutyl urea 392.89
    diisobutyl methanol 334.56
    2-phenylethanol 410.41
    styrene 440.05
    dioctyl adipate 567.94
    dimethyl sulfate 344.59
    ethyl butyrate 1309.05
    methyl lactate 231.35
    butyl lactate 627.21
    diethyl carbonate 611.51
    propanediol butyl ether 441.77
    triethyl orthoformate 872.0
    p-tert-butyltoluene 253.34
    methyl 4-tert-butylbenzoate 656.67
    morpholine 2159.95
    tert-butylamine 667.12
    n-dodecanol 119.73
    dimethoxymethane 741.04
    ethylene carbonate 760.85
    cyrene 498.76
    2-ethoxyethyl acetate 1217.33
    2-ethylhexyl acetate 1141.9
    1,2,4-trichlorobenzene 985.62
    4-methylpyridine 1376.58
    dibutyl ether 992.79
    2,6-dimethyl-4-heptanol 334.56
    DEF 1599.74
    dimethyl isosorbide 1189.38
    tetrachloroethylene 1720.63
    eugenol 500.41
    triacetin 944.46
    span 80 552.67
    1,4-butanediol 85.22
    1,1-dichloroethane 2094.27
    2-methyl-1-pentanol 494.41
    methyl formate 196.54
    2-methyl-1-butanol 598.37
    n-decane 67.72
    butyronitrile 864.44
    3,7-dimethyl-1-octanol 369.6
    1-chlorooctane 362.2
    1-chlorotetradecane 102.32
    n-nonane 71.87
    undecane 39.33
    tert-butylcyclohexane 148.59
    cyclooctane 134.08
    cyclopentanol 841.02
    tetrahydropyran 2823.17
    tert-amyl methyl ether 1176.54
    2,5,8-trioxanonane 995.37
    1-hexene 594.7
    2-isopropoxyethanol 667.54
    2,2,2-trifluoroethanol 95.52
    methyl butyrate 1740.42

    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

Botanical

Name CAS Botanical Proportion
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.21%
Jasmine (China) 2b (absolute) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.08%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 0.2%