Methyl isostearate

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  • Identifiers

    CAS number
    5129-61-3

    Molecular formula
    C19H38O2

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OC

  • Odor profile

    Waxy 78.76%
    Fatty 68.36%
    Oily 55.39%
    Odorless 29.88%
    Creamy 29.45%
    Sweet 28.49%
    Dairy 23.04%
    Milky 22.38%
    Soapy 20.93%
    Clean 20.2%

    Scent© AI

  • Properties

    XLogP3-AA
    8.7

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point est.
    152.74 ˚C

  • Synonyms

    • Methyl isostearate
    • Methyl 16-methylheptadecanoate
    • 5129-61-3
    • 16-Methylheptadecanoic acid methyl ester
    • 68517-10-2
    • Heptadecanoic acid, 16-methyl-, methyl ester
    • 2B9VP4H2JC
    • 16-METHYLHEPTADECANOICACIDMETHYLESTER
    • Isooctadecanoic acid,methyl ester
    • Isooctadecanoic acid, methyl ester
    • EC 614-560-4
    • Methyl isooctadecanoate
    • 16-Methylheptadecanoic acid-methyl ester
    • UNII-2B9VP4H2JC
    • Methyl 16-methylheptadecanoat
    • SCHEMBL8601185
    • DTXSID401027738
    • FAA12961
    • HY-W774974
    • NS00003741
    • Q63409252
    • Heptadecanoic acid, 16-methyl-, methyl ester; Methyl 16-methylheptadecanoate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.1
    methanol 77.39
    isopropanol 164.28
    water 0.01
    ethyl acetate 829.31
    n-propanol 151.58
    acetone 410.68
    n-butanol 206.13
    acetonitrile 152.38
    DMF 492.12
    toluene 272.55
    isobutanol 174.11
    1,4-dioxane 705.83
    methyl acetate 390.84
    THF 1601.59
    2-butanone 619.24
    n-pentanol 148.45
    sec-butanol 219.66
    n-hexane 82.56
    ethylene glycol 4.01
    NMP 974.66
    cyclohexane 379.22
    DMSO 500.85
    n-butyl acetate 853.94
    n-octanol 160.93
    chloroform 1710.53
    n-propyl acetate 898.12
    acetic acid 137.62
    dichloromethane 1663.09
    cyclohexanone 1766.06
    propylene glycol 21.21
    isopropyl acetate 784.81
    DMAc 819.26
    2-ethoxyethanol 311.98
    isopentanol 288.93
    n-heptane 78.5
    ethyl formate 277.46
    1,2-dichloroethane 1180.92
    n-hexanol 163.15
    2-methoxyethanol 318.67
    isobutyl acetate 584.55
    tetrachloromethane 394.26
    n-pentyl acetate 928.66
    transcutol 1713.71
    n-heptanol 143.91
    ethylbenzene 210.32
    MIBK 702.86
    2-propoxyethanol 353.02
    tert-butanol 356.09
    MTBE 701.89
    2-butoxyethanol 378.83
    propionic acid 162.38
    o-xylene 245.97
    formic acid 16.15
    diethyl ether 534.44
    m-xylene 227.25
    p-xylene 307.99
    chlorobenzene 481.4
    dimethyl carbonate 101.61
    n-octane 34.36
    formamide 40.56
    cyclopentanone 1430.06
    2-pentanone 758.11
    anisole 433.76
    cyclopentyl methyl ether 1000.24
    gamma-butyrolactone 1182.51
    1-methoxy-2-propanol 408.19
    pyridine 701.32
    3-pentanone 540.5
    furfural 805.05
    n-dodecane 17.24
    diethylene glycol 102.71
    diisopropyl ether 279.24
    tert-amyl alcohol 389.94
    acetylacetone 823.07
    n-hexadecane 22.55
    acetophenone 500.97
    methyl propionate 454.01
    isopentyl acetate 867.68
    trichloroethylene 1884.76
    n-nonanol 167.15
    cyclohexanol 478.41
    benzyl alcohol 231.72
    2-ethylhexanol 214.72
    isooctanol 179.46
    dipropyl ether 558.9
    1,2-dichlorobenzene 593.94
    ethyl lactate 216.13
    propylene carbonate 704.61
    n-methylformamide 144.0
    2-pentanol 209.32
    n-pentane 49.01
    1-propoxy-2-propanol 450.68
    1-methoxy-2-propyl acetate 745.42
    2-(2-methoxypropoxy) propanol 362.74
    mesitylene 191.22
    ε-caprolactone 1372.36
    p-cymene 176.52
    epichlorohydrin 1456.01
    1,1,1-trichloroethane 1480.17
    2-aminoethanol 26.54
    morpholine-4-carbaldehyde 850.72
    sulfolane 1679.07
    2,2,4-trimethylpentane 55.84
    2-methyltetrahydrofuran 1342.27
    n-hexyl acetate 846.93
    isooctane 36.88
    2-(2-butoxyethoxy)ethanol 508.39
    sec-butyl acetate 752.41
    tert-butyl acetate 1056.1
    decalin 117.5
    glycerin 34.58
    diglyme 1226.37
    acrylic acid 87.75
    isopropyl myristate 274.41
    n-butyric acid 546.19
    acetyl acetate 435.81
    di(2-ethylhexyl) phthalate 176.96
    ethyl propionate 727.56
    nitromethane 398.82
    1,2-diethoxyethane 896.48
    benzonitrile 353.32
    trioctyl phosphate 134.43
    1-bromopropane 746.59
    gamma-valerolactone 1782.65
    n-decanol 103.42
    triethyl phosphate 320.46
    4-methyl-2-pentanol 177.67
    propionitrile 222.55
    vinylene carbonate 478.47
    1,1,2-trichlorotrifluoroethane 752.38
    DMS 371.34
    cumene 156.42
    2-octanol 155.37
    2-hexanone 704.59
    octyl acetate 311.99
    limonene 367.53
    1,2-dimethoxyethane 1036.0
    ethyl orthosilicate 333.25
    tributyl phosphate 193.34
    diacetone alcohol 710.31
    N,N-dimethylaniline 300.06
    acrylonitrile 194.72
    aniline 246.85
    1,3-propanediol 85.21
    bromobenzene 599.36
    dibromomethane 1094.28
    1,1,2,2-tetrachloroethane 1957.18
    2-methyl-cyclohexyl acetate 618.33
    tetrabutyl urea 290.41
    diisobutyl methanol 188.75
    2-phenylethanol 228.78
    styrene 246.26
    dioctyl adipate 413.43
    dimethyl sulfate 253.12
    ethyl butyrate 854.48
    methyl lactate 134.15
    butyl lactate 441.86
    diethyl carbonate 402.24
    propanediol butyl ether 268.16
    triethyl orthoformate 614.89
    p-tert-butyltoluene 170.47
    methyl 4-tert-butylbenzoate 514.17
    morpholine 1010.47
    tert-butylamine 255.83
    n-dodecanol 71.2
    dimethoxymethane 373.57
    ethylene carbonate 494.1
    cyrene 363.03
    2-ethoxyethyl acetate 865.86
    2-ethylhexyl acetate 731.77
    1,2,4-trichlorobenzene 697.41
    4-methylpyridine 745.14
    dibutyl ether 610.39
    2,6-dimethyl-4-heptanol 188.75
    DEF 889.0
    dimethyl isosorbide 900.61
    tetrachloroethylene 1123.13
    eugenol 359.5
    triacetin 735.54
    span 80 361.88
    1,4-butanediol 33.88
    1,1-dichloroethane 1135.39
    2-methyl-1-pentanol 218.39
    methyl formate 101.64
    2-methyl-1-butanol 238.03
    n-decane 44.95
    butyronitrile 355.32
    3,7-dimethyl-1-octanol 219.87
    1-chlorooctane 244.99
    1-chlorotetradecane 68.31
    n-nonane 45.87
    undecane 25.59
    tert-butylcyclohexane 89.96
    cyclooctane 82.66
    cyclopentanol 400.63
    tetrahydropyran 1305.19
    tert-amyl methyl ether 595.68
    2,5,8-trioxanonane 673.98
    1-hexene 221.96
    2-isopropoxyethanol 317.15
    2,2,2-trifluoroethanol 59.46
    methyl butyrate 1018.19

    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
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.57%