6-Methyl-3-(3-methylbutyl)heptan-2-yl tetradecanoate

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  • Identifiers

    CAS number
    88332-30-3

    Molecular formula
    C27H54O2

    SMILES
    CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.37%
    Oily 48.77%
    Woody 45.19%
    Fatty 42.31%
    Floral 36.42%
    Balsamic 28.86%
    Herbal 28.56%
    Fruity 27.24%
    Odorless 27.09%
    Sandalwood 24.77%

     

    Flavor
    Mild 33.4%
    Bland 32.55%
    Waxy 32.39%
    Oily 32.23%
    Faint 25.65%
    Delicate 23.77%
    Slightly waxy 23.21%
    Beer 21.89%
    Fat 21.62%
    Bay oil 21.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.5

    pKa est.
    7.63 (neutral)

    Molecular weight
    410.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 173.95 ˚C est.

  • Synonyms

    • 88332-30-3
    • DTXSID10659760
    • 6-METHYL-3-(3-METHYLBUTYL)HEPTAN-2-YL TETRADECANOATE
    • RefChem:1074067
    • DTXCID20610509
    • 3-Isoamyl-6-methyl-2-heptyl Myristate
    • 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate
    • MFCD04038157
    • [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate
    • Tetradecanoic acid, 1,5-dimethyl-2-(3-methylbutyl)hexyl ester
    • Tetradecanoic acid, isotridecyl ester
    • orb2939552
    • SCHEMBL11208818
    • JHAGSLRTFDBCLA-UHFFFAOYSA-N
    • HY-W127611
    • SY052850
    • 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate
    • CS-0185818
    • I0662
    • 3-Isopentyl-6-methylheptan-2-yl Tetradecanoate
    • E78880
    • (2-isopentyl-1,5-dimethyl-hexyl) tetradecanoate
    • Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester
    • 1,5-DIMETHYL-2-ISOPENTYLHEXYL TETRADECANOATE
    • Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester
    • Tetradecanoicacid,1,5-dimethyl-2-(3-methylbutyl)hexylester
    • 88332-30-3

  • Applications

    6-Methyl-3-(3-methylbutyl)heptan-2-yl tetradecanoate (CAS 88332-30-3) is a branched wax ester that may be used as an emollient and texture-enhancer in cosmetics and personal care products; as a fragrance carrier or fixative in perfumery; as a lubricating agent, softening additive, or processing aid in coatings, inks, and polymer processing; as an industrial processing aid to improve slip and structural stability of oil-polymer systems; and as a component in cleaning formulations where a mild slip and light fragrance are desired. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 322.4
    methanol 219.7
    isopropanol 454.64
    water 0.26
    ethyl acetate 2110.26
    n-propanol 472.3
    acetone 1209.56
    n-butanol 568.17
    acetonitrile 361.61
    DMF 943.5
    toluene 804.86
    isobutanol 558.8
    1,4-dioxane 1689.27
    methyl acetate 1031.18
    THF 3285.16
    2-butanone 1480.0
    n-pentanol 448.2
    sec-butanol 700.18
    n-hexane 360.73
    ethylene glycol 14.47
    NMP 2311.27
    cyclohexane 1261.26
    DMSO 883.1
    n-butyl acetate 2076.16
    n-octanol 636.37
    chloroform 3136.23
    n-propyl acetate 1974.7
    acetic acid 508.93
    dichloromethane 3190.8
    cyclohexanone 3862.86
    propylene glycol 62.7
    isopropyl acetate 2041.86
    DMAc 1965.8
    2-ethoxyethanol 613.97
    isopentanol 791.93
    n-heptane 320.14
    ethyl formate 624.44
    1,2-dichloroethane 2220.36
    n-hexanol 469.45
    2-methoxyethanol 583.01
    isobutyl acetate 1467.92
    tetrachloromethane 997.59
    n-pentyl acetate 2939.98
    transcutol 3356.39
    n-heptanol 575.27
    ethylbenzene 600.04
    MIBK 1618.65
    2-propoxyethanol 712.92
    tert-butanol 816.85
    MTBE 1642.06
    2-butoxyethanol 1069.3
    propionic acid 550.41
    o-xylene 777.65
    formic acid 63.87
    diethyl ether 1302.11
    m-xylene 654.37
    p-xylene 966.08
    chlorobenzene 1232.32
    dimethyl carbonate 333.47
    n-octane 173.63
    formamide 135.72
    cyclopentanone 3068.26
    2-pentanone 1714.74
    anisole 916.06
    cyclopentyl methyl ether 2478.12
    gamma-butyrolactone 2623.3
    1-methoxy-2-propanol 772.38
    pyridine 1442.51
    3-pentanone 1392.73
    furfural 1459.07
    n-dodecane 80.83
    diethylene glycol 223.48
    diisopropyl ether 819.68
    tert-amyl alcohol 1060.55
    acetylacetone 1998.35
    n-hexadecane 101.12
    acetophenone 1177.33
    methyl propionate 1205.32
    isopentyl acetate 2202.5
    trichloroethylene 3457.09
    n-nonanol 633.25
    cyclohexanol 1407.52
    benzyl alcohol 519.81
    2-ethylhexanol 646.57
    isooctanol 698.48
    dipropyl ether 1262.04
    1,2-dichlorobenzene 1325.63
    ethyl lactate 511.31
    propylene carbonate 1740.44
    n-methylformamide 353.99
    2-pentanol 650.26
    n-pentane 250.49
    1-propoxy-2-propanol 959.0
    1-methoxy-2-propyl acetate 1676.41
    2-(2-methoxypropoxy) propanol 808.1
    mesitylene 556.53
    ε-caprolactone 3595.1
    p-cymene 510.46
    epichlorohydrin 2632.28
    1,1,1-trichloroethane 3198.72
    2-aminoethanol 84.5
    morpholine-4-carbaldehyde 1780.21
    sulfolane 3202.66
    2,2,4-trimethylpentane 249.89
    2-methyltetrahydrofuran 3274.97
    n-hexyl acetate 2760.89
    isooctane 146.08
    2-(2-butoxyethoxy)ethanol 1176.33
    sec-butyl acetate 1764.77
    tert-butyl acetate 2573.49
    decalin 423.62
    glycerin 85.2
    diglyme 2789.72
    acrylic acid 287.14
    isopropyl myristate 863.57
    n-butyric acid 1530.32
    acetyl acetate 1214.52
    di(2-ethylhexyl) phthalate 536.71
    ethyl propionate 1648.97
    nitromethane 1005.05
    1,2-diethoxyethane 2036.17
    benzonitrile 765.7
    trioctyl phosphate 460.0
    1-bromopropane 1650.98
    gamma-valerolactone 3628.78
    n-decanol 392.08
    triethyl phosphate 729.53
    4-methyl-2-pentanol 547.02
    propionitrile 495.84
    vinylene carbonate 1212.6
    1,1,2-trichlorotrifluoroethane 1298.89
    DMS 1114.0
    cumene 461.7
    2-octanol 676.57
    2-hexanone 1591.7
    octyl acetate 1030.15
    limonene 993.7
    1,2-dimethoxyethane 1694.08
    ethyl orthosilicate 786.87
    tributyl phosphate 588.85
    diacetone alcohol 1604.58
    N,N-dimethylaniline 691.14
    acrylonitrile 386.18
    aniline 651.41
    1,3-propanediol 244.65
    bromobenzene 1481.2
    dibromomethane 2173.29
    1,1,2,2-tetrachloroethane 3275.58
    2-methyl-cyclohexyl acetate 1436.48
    tetrabutyl urea 844.47
    diisobutyl methanol 517.67
    2-phenylethanol 523.94
    styrene 678.62
    dioctyl adipate 1110.67
    dimethyl sulfate 644.75
    ethyl butyrate 1875.79
    methyl lactate 374.65
    butyl lactate 1374.55
    diethyl carbonate 917.26
    propanediol butyl ether 761.48
    triethyl orthoformate 1327.37
    p-tert-butyltoluene 470.77
    methyl 4-tert-butylbenzoate 1366.27
    morpholine 2072.93
    tert-butylamine 638.04
    n-dodecanol 274.35
    dimethoxymethane 830.2
    ethylene carbonate 1373.48
    cyrene 718.03
    2-ethoxyethyl acetate 2417.2
    2-ethylhexyl acetate 1915.62
    1,2,4-trichlorobenzene 1555.94
    4-methylpyridine 1786.06
    dibutyl ether 1754.91
    2,6-dimethyl-4-heptanol 517.67
    DEF 1945.43
    dimethyl isosorbide 1679.38
    tetrachloroethylene 2111.57
    eugenol 897.75
    triacetin 2018.94
    span 80 917.33
    1,4-butanediol 110.13
    1,1-dichloroethane 2312.6
    2-methyl-1-pentanol 624.5
    methyl formate 265.07
    2-methyl-1-butanol 715.12
    n-decane 209.97
    butyronitrile 763.16
    3,7-dimethyl-1-octanol 732.3
    1-chlorooctane 858.93
    1-chlorotetradecane 246.29
    n-nonane 211.21
    undecane 120.51
    tert-butylcyclohexane 312.87
    cyclooctane 368.88
    cyclopentanol 1135.42
    tetrahydropyran 3212.95
    tert-amyl methyl ether 1473.99
    2,5,8-trioxanonane 1320.5
    1-hexene 718.59
    2-isopropoxyethanol 684.62
    2,2,2-trifluoroethanol 217.21
    methyl butyrate 2133.26

    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