3-Methyl-3-heptanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5582-82-1

    Molecular formula
    C8H18O

    SMILES
    CCCCC(C)(CC)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.29%
    Fruity 64.19%
    Sweet 58.47%
    Green 52.78%
    Fresh 50.01%
    Herbal 48.39%
    Citrus 47.88%
    Woody 45.79%
    Earthy 44.89%
    Rose 40.7%

     

    Flavor
    Green 66.4%
    Fruity 52.53%
    Floral 50.94%
    Woody 46.27%
    Earthy 38.09%
    Oily 36.82%
    Herbal 33.5%
    Sweet 33.5%
    Citrus 31.09%
    Lily 28.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    10.23 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    160°C

    Flash point

    • 58.56 ˚C est.

  • Synonyms

    • 3-METHYL-3-HEPTANOL
    • 5582-82-1
    • 598-06-1
    • 2-Ethyl-2-hexanol
    • NSC 25542
    • DTXSID00871136
    • RefChem:94755
    • 3-Heptanol, 3-methyl-(8CI)
    • DTXCID40818808
    • 3-Heptanol, 3-methyl-(8CI)(9CI)
    • PQOSNJHBSNZITJ-UHFFFAOYSA-N
    • 3-methylheptan-3-ol
    • 3-Heptanol, 3-methyl-
    • MFCD00021841
    • NSC25542
    • Butylethylmethylcarbinol
    • SCHEMBL196517
    • SCHEMBL277150
    • SCHEMBL4923394
    • SCHEMBL10798811
    • SCHEMBL11663953
    • SCHEMBL27700549
    • CHEBI:176778
    • NSC-25542
    • SBB061166
    • AKOS006230010
    • SY049031
    • CS-0453592
    • M0955
    • ST50409734
    • D91413
    • 5582-82-1

  • Applications

    3-Methyl-3-heptanol (CAS 5582-82-1) is a branched tertiary aliphatic alcohol commonly used as an intermediate and solvent in chemical synthesis; in perfumery it serves as a fragrance ingredient and may function as a fixative; in cosmetics and personal care it can act as a solvent or carrier for active ingredients; in household cleaning products it may be used as a solvent or processing aid; in coatings and inks it serves as a solvent and processing aid; and in polymer and plastics production it can be a precursor for specialty esters and plasticizers or other downstream syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1485.05
    methanol 1011.97
    isopropanol 1821.33
    water 1.61
    ethyl acetate 515.31
    n-propanol 1478.12
    acetone 604.13
    n-butanol 1489.67
    acetonitrile 497.42
    DMF 508.82
    toluene 283.47
    isobutanol 1206.6
    1,4-dioxane 1256.74
    methyl acetate 483.37
    THF 1675.71
    2-butanone 679.35
    n-pentanol 940.43
    sec-butanol 1669.41
    n-hexane 812.79
    ethylene glycol 208.49
    NMP 451.04
    cyclohexane 617.13
    DMSO 533.5
    n-butyl acetate 854.17
    n-octanol 822.37
    chloroform 1446.76
    n-propyl acetate 362.91
    acetic acid 403.36
    dichloromethane 886.27
    cyclohexanone 903.03
    propylene glycol 534.04
    isopropyl acetate 388.07
    DMAc 448.14
    2-ethoxyethanol 644.82
    isopentanol 1249.34
    n-heptane 830.7
    ethyl formate 302.11
    1,2-dichloroethane 489.56
    n-hexanol 1891.23
    2-methoxyethanol 988.71
    isobutyl acetate 296.39
    tetrachloromethane 388.38
    n-pentyl acetate 488.53
    transcutol 1327.26
    n-heptanol 813.44
    ethylbenzene 239.45
    MIBK 407.65
    2-propoxyethanol 1301.61
    tert-butanol 2044.33
    MTBE 1290.95
    2-butoxyethanol 780.8
    propionic acid 527.72
    o-xylene 238.45
    formic acid 96.39
    diethyl ether 1011.09
    m-xylene 241.63
    p-xylene 306.31
    chlorobenzene 309.58
    dimethyl carbonate 85.74
    n-octane 251.9
    formamide 104.11
    cyclopentanone 783.48
    2-pentanone 577.68
    anisole 343.84
    cyclopentyl methyl ether 785.64
    gamma-butyrolactone 611.27
    1-methoxy-2-propanol 962.21
    pyridine 611.36
    3-pentanone 390.82
    furfural 495.08
    n-dodecane 155.92
    diethylene glycol 613.5
    diisopropyl ether 399.18
    tert-amyl alcohol 1649.18
    acetylacetone 342.56
    n-hexadecane 164.82
    acetophenone 254.45
    methyl propionate 341.26
    isopentyl acetate 763.79
    trichloroethylene 709.39
    n-nonanol 681.05
    cyclohexanol 1103.45
    benzyl alcohol 318.23
    2-ethylhexanol 1186.68
    isooctanol 650.69
    dipropyl ether 1088.79
    1,2-dichlorobenzene 285.09
    ethyl lactate 199.32
    propylene carbonate 393.21
    n-methylformamide 270.45
    2-pentanol 1154.11
    n-pentane 590.82
    1-propoxy-2-propanol 1162.87
    1-methoxy-2-propyl acetate 488.19
    2-(2-methoxypropoxy) propanol 527.64
    mesitylene 190.98
    ε-caprolactone 713.77
    p-cymene 291.63
    epichlorohydrin 676.82
    1,1,1-trichloroethane 702.31
    2-aminoethanol 567.78
    morpholine-4-carbaldehyde 646.71
    sulfolane 617.69
    2,2,4-trimethylpentane 238.57
    2-methyltetrahydrofuran 1439.53
    n-hexyl acetate 735.0
    isooctane 211.74
    2-(2-butoxyethoxy)ethanol 718.82
    sec-butyl acetate 293.51
    tert-butyl acetate 433.57
    decalin 256.93
    glycerin 447.27
    diglyme 974.44
    acrylic acid 296.7
    isopropyl myristate 328.29
    n-butyric acid 829.34
    acetyl acetate 214.06
    di(2-ethylhexyl) phthalate 251.94
    ethyl propionate 304.86
    nitromethane 362.57
    1,2-diethoxyethane 695.48
    benzonitrile 399.35
    trioctyl phosphate 248.8
    1-bromopropane 846.89
    gamma-valerolactone 815.31
    n-decanol 510.34
    triethyl phosphate 213.92
    4-methyl-2-pentanol 674.18
    propionitrile 715.12
    vinylene carbonate 307.43
    1,1,2-trichlorotrifluoroethane 516.82
    DMS 234.87
    cumene 217.23
    2-octanol 638.37
    2-hexanone 538.89
    octyl acetate 390.04
    limonene 555.85
    1,2-dimethoxyethane 1024.5
    ethyl orthosilicate 236.13
    tributyl phosphate 254.94
    diacetone alcohol 537.1
    N,N-dimethylaniline 276.4
    acrylonitrile 485.78
    aniline 382.33
    1,3-propanediol 725.84
    bromobenzene 323.33
    dibromomethane 813.47
    1,1,2,2-tetrachloroethane 798.74
    2-methyl-cyclohexyl acetate 448.39
    tetrabutyl urea 302.8
    diisobutyl methanol 561.96
    2-phenylethanol 495.56
    styrene 252.47
    dioctyl adipate 341.54
    dimethyl sulfate 121.63
    ethyl butyrate 491.4
    methyl lactate 213.92
    butyl lactate 382.88
    diethyl carbonate 273.28
    propanediol butyl ether 701.48
    triethyl orthoformate 388.02
    p-tert-butyltoluene 310.17
    methyl 4-tert-butylbenzoate 366.82
    morpholine 1470.05
    tert-butylamine 1740.96
    n-dodecanol 403.36
    dimethoxymethane 404.65
    ethylene carbonate 308.91
    cyrene 309.81
    2-ethoxyethyl acetate 386.97
    2-ethylhexyl acetate 622.43
    1,2,4-trichlorobenzene 322.52
    4-methylpyridine 605.05
    dibutyl ether 818.78
    2,6-dimethyl-4-heptanol 561.96
    DEF 469.97
    dimethyl isosorbide 615.82
    tetrachloroethylene 517.06
    eugenol 332.14
    triacetin 385.79
    span 80 685.67
    1,4-butanediol 318.57
    1,1-dichloroethane 813.65
    2-methyl-1-pentanol 785.27
    methyl formate 168.97
    2-methyl-1-butanol 1124.16
    n-decane 272.44
    butyronitrile 942.06
    3,7-dimethyl-1-octanol 765.4
    1-chlorooctane 507.1
    1-chlorotetradecane 221.55
    n-nonane 308.93
    undecane 196.3
    tert-butylcyclohexane 286.53
    cyclooctane 232.34
    cyclopentanol 1099.13
    tetrahydropyran 1663.21
    tert-amyl methyl ether 864.52
    2,5,8-trioxanonane 676.51
    1-hexene 1188.79
    2-isopropoxyethanol 549.17
    2,2,2-trifluoroethanol 104.56
    methyl butyrate 416.4

    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