4-Heptanol, 2,6-dimethyl-, 4-acetate

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  • Identifiers

    CAS number
    10250-45-0

    Molecular formula
    C11H22O2

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

  • Odor profile

    Fragrance
    Floral 67.73%
    Herbal 65.34%
    Sweet 58.02%
    Fruity 56.33%
    Fresh 47.93%
    Mint 44.11%
    Green 40.9%
    Rose 37.53%
    Woody 36.08%
    Lavender 34.08%

     

    Flavor
    Fruity 50.93%
    Green 40.52%
    Tropical 38.83%
    Herbal 31.41%
    Oily 28.9%
    Fresh 28.54%
    Citrus 27.86%
    Floral 26.78%
    Ethereal 23.43%
    Yeasty 23.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.54 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 76.18 ˚C est.

  • Synonyms

    • 2,6-dimethylheptan-4-yl acetate
    • 10250-45-0
    • 3-Methyl-1-isobutylbutyl acetate
    • Diisobutylcarbinyl acetate
    • 4-Heptanol, 2,6-dimethyl-, acetate
    • 4-Heptanol, 2,6-dimethyl-, 4-acetate
    • 2,6-Dimethyl-4-heptanol, acetate
    • EINECS 233-588-4
    • 3-Methyl-1-(2-methylpropyl)butyl acetate
    • Diisobutyl carbinyl acetate
    • 88XC8V2DNU
    • SCHEMBL756656
    • 2,6-Dimethylheptyl-4-acetate
    • DTXSID6051516
    • 2,6-Dimethyl-4-heptanol acetate
    • 1-Isobutyl-3-methylbutyl acetate #
    • AKOS006274596
    • NS00020459
    • Q63395874
    • 233-588-4

  • Applications

    4-Heptanol, 2,6-dimethyl-, 4-acetate (CAS 10250-45-0) has practical applications primarily in the following areas: as a fragrance and flavor ingredient for the perfume, cosmetics, and food sectors, acting as an odorant or fixing agent; used in cosmetics and personal care as a fragrance component; serves as an intermediate in organic synthesis for various processes and product development; and is employed as a solvent or processing aid in industrial coatings, varnishes, and printing inks. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 599.34
    methanol 747.11
    isopropanol 585.64
    water 2.3
    ethyl acetate 332.74
    n-propanol 515.19
    acetone 497.61
    n-butanol 469.29
    acetonitrile 305.56
    DMF 538.22
    toluene 349.37
    isobutanol 431.2
    1,4-dioxane 930.28
    methyl acetate 331.1
    THF 1677.27
    2-butanone 380.41
    n-pentanol 331.01
    sec-butanol 520.75
    n-hexane 316.15
    ethylene glycol 110.79
    NMP 961.82
    cyclohexane 608.24
    DMSO 431.67
    n-butyl acetate 463.44
    n-octanol 386.09
    chloroform 2204.26
    n-propyl acetate 277.85
    acetic acid 693.34
    dichloromethane 1245.35
    cyclohexanone 1046.62
    propylene glycol 249.83
    isopropyl acetate 252.45
    DMAc 510.31
    2-ethoxyethanol 249.66
    isopentanol 397.93
    n-heptane 245.58
    ethyl formate 290.83
    1,2-dichloroethane 588.3
    n-hexanol 667.21
    2-methoxyethanol 467.99
    isobutyl acetate 241.93
    tetrachloromethane 386.08
    n-pentyl acetate 334.98
    transcutol 745.38
    n-heptanol 309.84
    ethylbenzene 247.07
    MIBK 239.91
    2-propoxyethanol 532.12
    tert-butanol 633.21
    MTBE 428.59
    2-butoxyethanol 328.35
    propionic acid 480.44
    o-xylene 259.2
    formic acid 175.75
    diethyl ether 377.97
    m-xylene 262.38
    p-xylene 368.61
    chlorobenzene 509.82
    dimethyl carbonate 122.61
    n-octane 91.53
    formamide 147.72
    cyclopentanone 967.67
    2-pentanone 337.5
    anisole 302.19
    cyclopentyl methyl ether 663.79
    gamma-butyrolactone 1017.15
    1-methoxy-2-propanol 380.31
    pyridine 702.33
    3-pentanone 264.21
    furfural 812.75
    n-dodecane 69.99
    diethylene glycol 311.02
    diisopropyl ether 158.59
    tert-amyl alcohol 557.24
    acetylacetone 372.42
    n-hexadecane 77.85
    acetophenone 304.76
    methyl propionate 266.54
    isopentyl acetate 445.14
    trichloroethylene 1202.57
    n-nonanol 325.25
    cyclohexanol 809.33
    benzyl alcohol 278.01
    2-ethylhexanol 439.28
    isooctanol 247.69
    dipropyl ether 376.1
    1,2-dichlorobenzene 456.75
    ethyl lactate 170.35
    propylene carbonate 722.14
    n-methylformamide 261.87
    2-pentanol 354.51
    n-pentane 226.91
    1-propoxy-2-propanol 478.18
    1-methoxy-2-propyl acetate 350.91
    2-(2-methoxypropoxy) propanol 338.92
    mesitylene 194.16
    ε-caprolactone 833.07
    p-cymene 221.69
    epichlorohydrin 834.45
    1,1,1-trichloroethane 778.62
    2-aminoethanol 248.04
    morpholine-4-carbaldehyde 689.79
    sulfolane 1102.7
    2,2,4-trimethylpentane 105.98
    2-methyltetrahydrofuran 1078.18
    n-hexyl acetate 571.4
    isooctane 73.25
    2-(2-butoxyethoxy)ethanol 415.04
    sec-butyl acetate 203.54
    tert-butyl acetate 297.29
    decalin 183.85
    glycerin 246.44
    diglyme 564.35
    acrylic acid 386.03
    isopropyl myristate 250.16
    n-butyric acid 651.7
    acetyl acetate 276.77
    di(2-ethylhexyl) phthalate 250.25
    ethyl propionate 233.37
    nitromethane 539.73
    1,2-diethoxyethane 318.06
    benzonitrile 434.52
    trioctyl phosphate 198.11
    1-bromopropane 501.86
    gamma-valerolactone 1028.53
    n-decanol 240.88
    triethyl phosphate 197.87
    4-methyl-2-pentanol 206.62
    propionitrile 327.64
    vinylene carbonate 609.6
    1,1,2-trichlorotrifluoroethane 646.62
    DMS 309.38
    cumene 190.49
    2-octanol 264.4
    2-hexanone 307.26
    octyl acetate 324.54
    limonene 368.51
    1,2-dimethoxyethane 489.48
    ethyl orthosilicate 192.17
    tributyl phosphate 232.96
    diacetone alcohol 336.9
    N,N-dimethylaniline 243.89
    acrylonitrile 322.16
    aniline 366.96
    1,3-propanediol 335.91
    bromobenzene 549.18
    dibromomethane 981.59
    1,1,2,2-tetrachloroethane 1164.61
    2-methyl-cyclohexyl acetate 395.37
    tetrabutyl urea 292.97
    diisobutyl methanol 226.75
    2-phenylethanol 376.18
    styrene 273.06
    dioctyl adipate 361.37
    dimethyl sulfate 195.47
    ethyl butyrate 323.5
    methyl lactate 186.71
    butyl lactate 297.12
    diethyl carbonate 238.25
    propanediol butyl ether 381.15
    triethyl orthoformate 265.34
    p-tert-butyltoluene 221.55
    methyl 4-tert-butylbenzoate 345.1
    morpholine 997.47
    tert-butylamine 494.86
    n-dodecanol 188.97
    dimethoxymethane 324.61
    ethylene carbonate 510.01
    cyrene 347.76
    2-ethoxyethyl acetate 306.98
    2-ethylhexyl acetate 379.29
    1,2,4-trichlorobenzene 543.22
    4-methylpyridine 679.66
    dibutyl ether 373.37
    2,6-dimethyl-4-heptanol 226.75
    DEF 348.3
    dimethyl isosorbide 634.26
    tetrachloroethylene 745.35
    eugenol 306.25
    triacetin 410.55
    span 80 486.64
    1,4-butanediol 158.39
    1,1-dichloroethane 734.12
    2-methyl-1-pentanol 311.8
    methyl formate 235.93
    2-methyl-1-butanol 392.65
    n-decane 112.13
    butyronitrile 430.13
    3,7-dimethyl-1-octanol 313.0
    1-chlorooctane 286.63
    1-chlorotetradecane 133.4
    n-nonane 122.3
    undecane 83.75
    tert-butylcyclohexane 166.13
    cyclooctane 181.39
    cyclopentanol 797.96
    tetrahydropyran 1169.56
    tert-amyl methyl ether 341.24
    2,5,8-trioxanonane 443.24
    1-hexene 456.94
    2-isopropoxyethanol 206.4
    2,2,2-trifluoroethanol 205.98
    methyl butyrate 334.72

    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