6-Methyl-2-heptyl acetate

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  • Identifiers

    CAS number
    67952-57-2

    Molecular formula
    C10H20O2

    SMILES
    CC(C)CCCC(C)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 85.99%
    Sweet 63.42%
    Floral 57.95%
    Herbal 56.08%
    Fresh 50.8%
    Green 37.49%
    Woody 36.84%
    Citrus 35.33%
    Banana 34.54%
    Rose 34.33%

     

    Flavor
    Fruity 46.47%
    Green 46.27%
    Herbal 43.94%
    Tropical 40.88%
    Woody 36.87%
    Floral 36.58%
    Oily 32.4%
    Citrus 31.88%
    Fresh 30.89%
    Bitter 29.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.68 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 187.00 °C. @ 760.00 mm Hg

    Flash point

    • 69.67 ˚C est.

  • Synonyms

    • 1,5-Dimethylhexyl acetate
    • 67952-57-2
    • 6-methylheptan-2-yl acetate
    • 2-Heptanol, 6-methyl-, acetate
    • 6-Methyl-2-heptyl acetate
    • 2-Heptanol, 6-methyl-, 2-acetate
    • 6-methyl-2-heptanyl acetate
    • L99R8F7K2A
    • EINECS 267-911-5
    • DTXSID00867413
    • 6-Methyl-2-heptanol, acetate
    • Fructurol
    • 1,5-dimethyl hexyl acetate
    • UNII-L99R8F7K2A
    • SCHEMBL996778
    • CHEBI:87332
    • DTXCID50815601
    • acetic acid 1,5-dimethyl-hexyl ester
    • NS00012306
    • Q27159534

  • Applications

    6-Methyl-2-heptyl acetate, CAS 67952-57-2, is a long-chain acetate typically used as a fragrance ingredient in perfumery and cosmetics, where it can function as an odorant and, in some formulations, as a fixative. It is also evaluated for flavor/aroma applications in food and beverage contexts and can appear as a scent component in household products and other consumer goods. In industrial manufacturing, it may serve as an intermediate in the synthesis of specialty chemicals used in coatings, inks, and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3029.6
    methanol 3502.43
    isopropanol 2595.77
    water 2.18
    ethyl acetate 1423.51
    n-propanol 2073.83
    acetone 2115.79
    n-butanol 1996.7
    acetonitrile 1295.71
    DMF 1621.11
    toluene 532.45
    isobutanol 1659.72
    1,4-dioxane 2394.53
    methyl acetate 1048.36
    THF 3375.2
    2-butanone 1267.59
    n-pentanol 1288.79
    sec-butanol 1883.66
    n-hexane 624.38
    ethylene glycol 414.1
    NMP 1585.77
    cyclohexane 568.03
    DMSO 1507.01
    n-butyl acetate 1306.93
    n-octanol 752.56
    chloroform 3102.38
    n-propyl acetate 739.16
    acetic acid 1929.76
    dichloromethane 2094.53
    cyclohexanone 2204.33
    propylene glycol 880.45
    isopropyl acetate 957.85
    DMAc 1251.09
    2-ethoxyethanol 1052.69
    isopentanol 1689.73
    n-heptane 248.34
    ethyl formate 771.57
    1,2-dichloroethane 1236.53
    n-hexanol 1962.2
    2-methoxyethanol 1961.6
    isobutyl acetate 543.33
    tetrachloromethane 508.29
    n-pentyl acetate 732.38
    transcutol 3525.37
    n-heptanol 624.7
    ethylbenzene 321.25
    MIBK 814.28
    2-propoxyethanol 1923.14
    tert-butanol 2902.45
    MTBE 2024.64
    2-butoxyethanol 811.89
    propionic acid 1289.44
    o-xylene 366.77
    formic acid 505.12
    diethyl ether 1615.68
    m-xylene 445.58
    p-xylene 439.62
    chlorobenzene 723.88
    dimethyl carbonate 234.19
    n-octane 90.42
    formamide 442.99
    cyclopentanone 1867.93
    2-pentanone 1241.83
    anisole 562.81
    cyclopentyl methyl ether 1643.51
    gamma-butyrolactone 1920.09
    1-methoxy-2-propanol 1650.56
    pyridine 1168.82
    3-pentanone 756.81
    furfural 1290.5
    n-dodecane 67.73
    diethylene glycol 1079.74
    diisopropyl ether 556.2
    tert-amyl alcohol 2136.93
    acetylacetone 1136.54
    n-hexadecane 76.25
    acetophenone 481.91
    methyl propionate 830.67
    isopentyl acetate 1130.41
    trichloroethylene 2056.93
    n-nonanol 606.56
    cyclohexanol 1977.05
    benzyl alcohol 528.33
    2-ethylhexanol 932.03
    isooctanol 483.39
    dipropyl ether 892.77
    1,2-dichlorobenzene 585.05
    ethyl lactate 328.37
    propylene carbonate 1068.81
    n-methylformamide 825.88
    2-pentanol 1380.6
    n-pentane 381.63
    1-propoxy-2-propanol 1422.26
    1-methoxy-2-propyl acetate 969.15
    2-(2-methoxypropoxy) propanol 778.8
    mesitylene 308.41
    ε-caprolactone 1769.09
    p-cymene 252.0
    epichlorohydrin 1919.63
    1,1,1-trichloroethane 1524.54
    2-aminoethanol 983.49
    morpholine-4-carbaldehyde 1617.98
    sulfolane 1838.33
    2,2,4-trimethylpentane 170.16
    2-methyltetrahydrofuran 2744.71
    n-hexyl acetate 1264.96
    isooctane 136.07
    2-(2-butoxyethoxy)ethanol 1155.0
    sec-butyl acetate 569.04
    tert-butyl acetate 1085.02
    decalin 212.92
    glycerin 796.95
    diglyme 1606.33
    acrylic acid 827.46
    isopropyl myristate 396.28
    n-butyric acid 2039.59
    acetyl acetate 768.92
    di(2-ethylhexyl) phthalate 361.63
    ethyl propionate 586.52
    nitromethane 1609.25
    1,2-diethoxyethane 1181.67
    benzonitrile 742.65
    trioctyl phosphate 279.76
    1-bromopropane 1133.43
    gamma-valerolactone 2296.69
    n-decanol 420.4
    triethyl phosphate 268.85
    4-methyl-2-pentanol 766.97
    propionitrile 999.76
    vinylene carbonate 889.58
    1,1,2-trichlorotrifluoroethane 1334.33
    DMS 545.07
    cumene 247.87
    2-octanol 489.89
    2-hexanone 897.12
    octyl acetate 521.12
    limonene 515.83
    1,2-dimethoxyethane 1727.28
    ethyl orthosilicate 289.8
    tributyl phosphate 357.45
    diacetone alcohol 1147.9
    N,N-dimethylaniline 402.55
    acrylonitrile 896.51
    aniline 765.57
    1,3-propanediol 1295.24
    bromobenzene 768.35
    dibromomethane 1665.58
    1,1,2,2-tetrachloroethane 1969.03
    2-methyl-cyclohexyl acetate 607.42
    tetrabutyl urea 418.66
    diisobutyl methanol 438.2
    2-phenylethanol 670.72
    styrene 380.84
    dioctyl adipate 519.8
    dimethyl sulfate 369.56
    ethyl butyrate 667.81
    methyl lactate 442.69
    butyl lactate 572.69
    diethyl carbonate 371.27
    propanediol butyl ether 974.33
    triethyl orthoformate 462.58
    p-tert-butyltoluene 257.6
    methyl 4-tert-butylbenzoate 536.43
    morpholine 2951.42
    tert-butylamine 1890.79
    n-dodecanol 310.02
    dimethoxymethane 958.02
    ethylene carbonate 824.11
    cyrene 574.38
    2-ethoxyethyl acetate 778.02
    2-ethylhexyl acetate 848.83
    1,2,4-trichlorobenzene 713.37
    4-methylpyridine 1370.83
    dibutyl ether 896.46
    2,6-dimethyl-4-heptanol 438.2
    DEF 1121.57
    dimethyl isosorbide 1163.23
    tetrachloroethylene 1228.64
    eugenol 498.58
    triacetin 772.51
    span 80 841.64
    1,4-butanediol 514.64
    1,1-dichloroethane 1690.53
    2-methyl-1-pentanol 1077.42
    methyl formate 559.51
    2-methyl-1-butanol 1488.68
    n-decane 125.88
    butyronitrile 1372.18
    3,7-dimethyl-1-octanol 721.65
    1-chlorooctane 465.26
    1-chlorotetradecane 168.18
    n-nonane 140.72
    undecane 87.58
    tert-butylcyclohexane 221.76
    cyclooctane 167.9
    cyclopentanol 1848.6
    tetrahydropyran 2904.46
    tert-amyl methyl ether 1264.14
    2,5,8-trioxanonane 1079.6
    1-hexene 1278.09
    2-isopropoxyethanol 805.04
    2,2,2-trifluoroethanol 431.67
    methyl butyrate 832.67

    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