4-Methyl-4-heptanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    598-01-6

    Molecular formula
    C8H18O

    SMILES
    CCCC(C)(CCC)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 65.02%
    Floral 59.26%
    Green 53.75%
    Herbal 51.87%
    Sweet 50.29%
    Fresh 46.87%
    Oily 46.05%
    Fermented 42.34%
    Woody 41.82%
    Earthy 41.58%

     

    Flavor
    Green 55.48%
    Floral 44.92%
    Sweet 41.74%
    Woody 37.27%
    Oily 35.98%
    Earthy 34.47%
    Herbal 30.75%
    Fruity 30.61%
    Mild 30.54%
    Lily 30.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.99 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    157°C

    Flash point

    • 57.36 ˚C est.

  • Synonyms

    • 4-Methyl-4-heptanol
    • 4-Heptanol, 4-methyl-
    • 4-Hydroxy-4-methylheptane
    • DTXSID60208525
    • NSC 71544
    • RefChem:99791
    • DTXCID10131016
    • 620-952-6
    • IQXKGRKRIRMQCQ-UHFFFAOYSA-N
    • 598-01-6
    • 4-methylheptan-4-ol
    • MFCD00021840
    • NSC-71544
    • NSC71544
    • 4-methyl-heptan-4-ol
    • NCIOpen2_000458
    • SCHEMBL308585
    • SCHEMBL497380
    • SCHEMBL3167408
    • UY4L629D4F
    • AKOS024429419
    • SY053483
    • DB-003969
    • CS-0360467
    • M0954
    • D91412
    • F752163
    • 598-01-6

  • Applications

    4-Methyl-4-heptanol is used as a chemical intermediate and as a fragrance ingredient across multiple industries. In perfumery and cosmetics, it can act as an odorant and fragrance component, contributing to specific scent profiles. It is commonly evaluated as an intermediate for the synthesis of esters and other derivatives used in specialty chemicals. In industrial manufacturing, it may function as a solvent or processing aid in coatings, inks, and adhesives, helping to dissolve components and support formulation. It may also be considered for cleaning formulations as a solvent or carrier for active ingredients, depending on regulatory limits. Additionally, it can serve as a building block in polymer or plastics formulations in certain contexts, subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1853.05
    methanol 2131.21
    isopropanol 1735.98
    water 1.7
    ethyl acetate 633.29
    n-propanol 1744.72
    acetone 778.91
    n-butanol 1745.08
    acetonitrile 657.0
    DMF 598.41
    toluene 426.23
    isobutanol 1362.86
    1,4-dioxane 1769.25
    methyl acetate 523.94
    THF 2709.88
    2-butanone 736.15
    n-pentanol 1093.51
    sec-butanol 1651.23
    n-hexane 1835.79
    ethylene glycol 223.31
    NMP 852.1
    cyclohexane 1628.18
    DMSO 572.09
    n-butyl acetate 1162.49
    n-octanol 1030.45
    chloroform 2097.86
    n-propyl acetate 499.57
    acetic acid 632.82
    dichloromethane 1296.92
    cyclohexanone 1451.06
    propylene glycol 455.24
    isopropyl acetate 474.26
    DMAc 526.35
    2-ethoxyethanol 660.84
    isopentanol 1380.23
    n-heptane 1776.24
    ethyl formate 444.19
    1,2-dichloroethane 693.94
    n-hexanol 2698.16
    2-methoxyethanol 1094.13
    isobutyl acetate 392.58
    tetrachloromethane 594.93
    n-pentyl acetate 686.52
    transcutol 1391.25
    n-heptanol 1037.61
    ethylbenzene 334.72
    MIBK 487.83
    2-propoxyethanol 1594.62
    tert-butanol 2023.58
    MTBE 1454.75
    2-butoxyethanol 857.93
    propionic acid 696.91
    o-xylene 321.07
    formic acid 171.95
    diethyl ether 1543.17
    m-xylene 344.1
    p-xylene 449.42
    chlorobenzene 474.81
    dimethyl carbonate 110.92
    n-octane 455.97
    formamide 142.2
    cyclopentanone 1183.62
    2-pentanone 734.86
    anisole 395.15
    cyclopentyl methyl ether 1319.32
    gamma-butyrolactone 1081.59
    1-methoxy-2-propanol 931.18
    pyridine 790.09
    3-pentanone 540.78
    furfural 661.0
    n-dodecane 251.02
    diethylene glycol 692.29
    diisopropyl ether 556.52
    tert-amyl alcohol 1648.13
    acetylacetone 411.87
    n-hexadecane 276.32
    acetophenone 303.71
    methyl propionate 424.91
    isopentyl acetate 1002.81
    trichloroethylene 903.79
    n-nonanol 845.78
    cyclohexanol 1690.46
    benzyl alcohol 347.13
    2-ethylhexanol 1650.21
    isooctanol 795.87
    dipropyl ether 1674.73
    1,2-dichlorobenzene 404.9
    ethyl lactate 227.22
    propylene carbonate 650.22
    n-methylformamide 377.6
    2-pentanol 1236.61
    n-pentane 1254.48
    1-propoxy-2-propanol 1398.39
    1-methoxy-2-propyl acetate 587.67
    2-(2-methoxypropoxy) propanol 537.06
    mesitylene 265.13
    ε-caprolactone 1105.13
    p-cymene 404.88
    epichlorohydrin 917.14
    1,1,1-trichloroethane 867.13
    2-aminoethanol 554.06
    morpholine-4-carbaldehyde 810.23
    sulfolane 1066.2
    2,2,4-trimethylpentane 404.2
    2-methyltetrahydrofuran 2115.25
    n-hexyl acetate 1018.05
    isooctane 335.23
    2-(2-butoxyethoxy)ethanol 758.24
    sec-butyl acetate 365.8
    tert-butyl acetate 550.27
    decalin 514.72
    glycerin 454.37
    diglyme 1064.55
    acrylic acid 408.49
    isopropyl myristate 446.73
    n-butyric acid 1120.77
    acetyl acetate 282.12
    di(2-ethylhexyl) phthalate 318.45
    ethyl propionate 401.45
    nitromethane 501.77
    1,2-diethoxyethane 833.44
    benzonitrile 479.76
    trioctyl phosphate 327.22
    1-bromopropane 1132.6
    gamma-valerolactone 1165.81
    n-decanol 619.15
    triethyl phosphate 283.43
    4-methyl-2-pentanol 691.87
    propionitrile 858.71
    vinylene carbonate 498.48
    1,1,2-trichlorotrifluoroethane 646.84
    DMS 316.56
    cumene 284.92
    2-octanol 801.91
    2-hexanone 699.79
    octyl acetate 524.49
    limonene 855.96
    1,2-dimethoxyethane 1262.12
    ethyl orthosilicate 323.79
    tributyl phosphate 350.01
    diacetone alcohol 558.85
    N,N-dimethylaniline 321.73
    acrylonitrile 559.67
    aniline 455.55
    1,3-propanediol 812.92
    bromobenzene 497.01
    dibromomethane 1252.41
    1,1,2,2-tetrachloroethane 1022.93
    2-methyl-cyclohexyl acetate 629.33
    tetrabutyl urea 438.04
    diisobutyl methanol 745.69
    2-phenylethanol 586.21
    styrene 349.24
    dioctyl adipate 458.3
    dimethyl sulfate 160.65
    ethyl butyrate 674.65
    methyl lactate 232.8
    butyl lactate 484.76
    diethyl carbonate 365.85
    propanediol butyl ether 720.27
    triethyl orthoformate 544.36
    p-tert-butyltoluene 417.04
    methyl 4-tert-butylbenzoate 448.38
    morpholine 1946.42
    tert-butylamine 1901.84
    n-dodecanol 492.58
    dimethoxymethane 514.01
    ethylene carbonate 505.22
    cyrene 364.73
    2-ethoxyethyl acetate 476.35
    2-ethylhexyl acetate 868.49
    1,2,4-trichlorobenzene 438.37
    4-methylpyridine 805.95
    dibutyl ether 1164.11
    2,6-dimethyl-4-heptanol 745.69
    DEF 626.0
    dimethyl isosorbide 773.58
    tetrachloroethylene 755.42
    eugenol 378.8
    triacetin 459.03
    span 80 738.83
    1,4-butanediol 340.83
    1,1-dichloroethane 942.23
    2-methyl-1-pentanol 884.39
    methyl formate 261.98
    2-methyl-1-butanol 1318.46
    n-decane 456.41
    butyronitrile 1164.99
    3,7-dimethyl-1-octanol 931.76
    1-chlorooctane 773.35
    1-chlorotetradecane 312.07
    n-nonane 542.01
    undecane 321.99
    tert-butylcyclohexane 549.03
    cyclooctane 561.1
    cyclopentanol 1575.59
    tetrahydropyran 2620.22
    tert-amyl methyl ether 1040.55
    2,5,8-trioxanonane 737.7
    1-hexene 1935.77
    2-isopropoxyethanol 540.7
    2,2,2-trifluoroethanol 157.56
    methyl butyrate 561.95

    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