2,4-Dimethyl-1-heptanol

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  • Identifiers

    CAS number
    98982-97-9

    Molecular formula
    C9H20O

    SMILES
    CCCC(C)CC(C)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 50.11%
    Green 49.17%
    Floral 48.9%
    Citrus 41.97%
    Fresh 40.35%
    Sweet 37.79%
    Waxy 37.29%
    Fatty 36.53%
    Herbal 35.38%
    Rose 35.02%

     

    Flavor
    Fresh 35.91%
    Green 35.67%
    Floral 33.18%
    Citrus 32.38%
    Waxy 31.35%
    Oily 28.38%
    Bitter 27.92%
    Musty 27.52%
    Mild 26.88%
    Leathery 25.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.15 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    194°C

    Flash point

    • 82.07 ˚C est.

  • Synonyms

    • 2,4-dimethylheptan-1-ol
    • 2,4-Dimethyl-1-heptanol
    • 1-Heptanol, 2,4-dimethyl-
    • 98982-97-9
    • 9YS12AKM7P
    • 1-Heptanol, 2,4-dimethyl-, (2S,4R)-(-)-
    • RefChem:443721
    • 633-686-0
    • UNII-9YS12AKM7P
    • 2,4-Dimethyl-1-heptanol #
    • 2,4-dimethylheptanol
    • SCHEMBL294810
    • SCHEMBL8373190
    • DTXSID101372067
    • AKOS015401560
    • 98982-97-9

  • Applications

    2,4-Dimethyl-1-heptanol (CAS 98982-97-9) is primarily used as a fragrance component and fixative in perfumery, and can also function as a solvent or intermediate in industrial coating, inks, and related substrates; in cosmetics and personal care, it is commonly used as a solvent and scent element to influence texture and odor; in industrial manufacturing, it serves as an intermediate for ester and plastic resin syntheses or as a solvent in plastics and coatings formulations; in household cleaning formulations, it may act as a solvent or fragrance ingredient for cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20552.61
    methanol 19000.33
    isopropanol 18734.24
    water 1.06
    ethyl acetate 6774.51
    n-propanol 16958.46
    acetone 11618.07
    n-butanol 16381.64
    acetonitrile 7070.3
    DMF 5173.4
    toluene 1511.71
    isobutanol 11755.81
    1,4-dioxane 8750.87
    methyl acetate 4254.78
    THF 16375.14
    2-butanone 7283.12
    n-pentanol 7796.9
    sec-butanol 11485.54
    n-hexane 2270.19
    ethylene glycol 1427.87
    NMP 2413.54
    cyclohexane 2390.17
    DMSO 6941.7
    n-butyl acetate 9776.03
    n-octanol 2302.23
    chloroform 8094.56
    n-propyl acetate 4857.68
    acetic acid 5745.66
    dichloromethane 6773.37
    cyclohexanone 8548.5
    propylene glycol 2491.91
    isopropyl acetate 4082.2
    DMAc 1726.16
    2-ethoxyethanol 5260.53
    isopentanol 11372.99
    n-heptane 2000.43
    ethyl formate 4718.07
    1,2-dichloroethane 4779.59
    n-hexanol 12650.27
    2-methoxyethanol 10374.98
    isobutyl acetate 2521.7
    tetrachloromethane 2325.36
    n-pentyl acetate 2888.85
    transcutol 8453.77
    n-heptanol 3423.92
    ethylbenzene 823.71
    MIBK 3708.88
    2-propoxyethanol 9918.31
    tert-butanol 16848.32
    MTBE 10386.81
    2-butoxyethanol 4204.86
    propionic acid 5002.56
    o-xylene 763.1
    formic acid 1268.2
    diethyl ether 10322.54
    m-xylene 1053.48
    p-xylene 1047.38
    chlorobenzene 1795.64
    dimethyl carbonate 562.72
    n-octane 427.88
    formamide 1612.34
    cyclopentanone 7695.3
    2-pentanone 7716.5
    anisole 1504.27
    cyclopentyl methyl ether 6448.18
    gamma-butyrolactone 6482.26
    1-methoxy-2-propanol 7263.91
    pyridine 4629.45
    3-pentanone 3274.74
    furfural 3605.58
    n-dodecane 166.15
    diethylene glycol 3691.91
    diisopropyl ether 2803.78
    tert-amyl alcohol 9164.17
    acetylacetone 3467.98
    n-hexadecane 188.98
    acetophenone 1018.41
    methyl propionate 3168.82
    isopentyl acetate 6894.45
    trichloroethylene 6325.62
    n-nonanol 1724.37
    cyclohexanol 7872.08
    benzyl alcohol 1424.0
    2-ethylhexanol 6132.61
    isooctanol 2513.01
    dipropyl ether 7954.11
    1,2-dichlorobenzene 1291.74
    ethyl lactate 1013.97
    propylene carbonate 2916.45
    n-methylformamide 4565.37
    2-pentanol 9108.35
    n-pentane 2136.48
    1-propoxy-2-propanol 8617.75
    1-methoxy-2-propyl acetate 3699.22
    2-(2-methoxypropoxy) propanol 1323.53
    mesitylene 702.64
    ε-caprolactone 6045.66
    p-cymene 968.79
    epichlorohydrin 7449.13
    1,1,1-trichloroethane 4899.79
    2-aminoethanol 4743.3
    morpholine-4-carbaldehyde 3453.72
    sulfolane 4579.68
    2,2,4-trimethylpentane 667.37
    2-methyltetrahydrofuran 12628.17
    n-hexyl acetate 3212.73
    isooctane 711.82
    2-(2-butoxyethoxy)ethanol 2543.45
    sec-butyl acetate 2653.15
    tert-butyl acetate 3691.63
    decalin 576.8
    glycerin 1835.85
    diglyme 4857.89
    acrylic acid 2329.89
    isopropyl myristate 813.4
    n-butyric acid 11201.5
    acetyl acetate 1673.08
    di(2-ethylhexyl) phthalate 560.93
    ethyl propionate 2788.88
    nitromethane 5686.79
    1,2-diethoxyethane 5295.56
    benzonitrile 2253.86
    trioctyl phosphate 597.15
    1-bromopropane 5320.24
    gamma-valerolactone 8143.31
    n-decanol 1117.17
    triethyl phosphate 741.83
    4-methyl-2-pentanol 3884.33
    propionitrile 7159.67
    vinylene carbonate 2142.91
    1,1,2-trichlorotrifluoroethane 3395.49
    DMS 795.53
    cumene 561.52
    2-octanol 1979.51
    2-hexanone 5199.01
    octyl acetate 1030.73
    limonene 2214.22
    1,2-dimethoxyethane 8311.17
    ethyl orthosilicate 983.27
    tributyl phosphate 731.92
    diacetone alcohol 3822.62
    N,N-dimethylaniline 771.69
    acrylonitrile 5129.33
    aniline 2361.43
    1,3-propanediol 7640.05
    bromobenzene 1652.5
    dibromomethane 5785.99
    1,1,2,2-tetrachloroethane 4753.86
    2-methyl-cyclohexyl acetate 1877.92
    tetrabutyl urea 783.6
    diisobutyl methanol 2754.05
    2-phenylethanol 2192.96
    styrene 1030.92
    dioctyl adipate 906.64
    dimethyl sulfate 648.19
    ethyl butyrate 4658.64
    methyl lactate 1036.52
    butyl lactate 1800.76
    diethyl carbonate 1725.57
    propanediol butyl ether 2452.07
    triethyl orthoformate 2499.3
    p-tert-butyltoluene 945.54
    methyl 4-tert-butylbenzoate 866.25
    morpholine 12429.21
    tert-butylamine 12360.02
    n-dodecanol 789.09
    dimethoxymethane 4193.23
    ethylene carbonate 2378.97
    cyrene 835.08
    2-ethoxyethyl acetate 2501.62
    2-ethylhexyl acetate 4711.76
    1,2,4-trichlorobenzene 1345.14
    4-methylpyridine 4661.89
    dibutyl ether 3592.91
    2,6-dimethyl-4-heptanol 2754.05
    DEF 4684.73
    dimethyl isosorbide 1914.76
    tetrachloroethylene 3695.88
    eugenol 868.5
    triacetin 1058.46
    span 80 1570.91
    1,4-butanediol 2185.76
    1,1-dichloroethane 6855.84
    2-methyl-1-pentanol 5164.3
    methyl formate 2461.75
    2-methyl-1-butanol 9114.03
    n-decane 372.5
    butyronitrile 11429.92
    3,7-dimethyl-1-octanol 2392.04
    1-chlorooctane 1341.25
    1-chlorotetradecane 350.02
    n-nonane 447.18
    undecane 234.38
    tert-butylcyclohexane 683.92
    cyclooctane 611.17
    cyclopentanol 8288.27
    tetrahydropyran 15170.87
    tert-amyl methyl ether 4795.63
    2,5,8-trioxanonane 1979.75
    1-hexene 5589.88
    2-isopropoxyethanol 3401.17
    2,2,2-trifluoroethanol 871.44
    methyl butyrate 4824.22

    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