2,6-Dimethyl-4-heptanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    108-82-7

    Molecular formula
    C9H20O

    SMILES
    CC(C)CC(CC(C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 80.88%
    Fruity 71.19%
    Fermented 64.5%
    Sweet 56.94%
    Alcoholic 55.65%
    Ethereal 54.84%
    Cocoa 47.15%
    Oily 46.21%
    Winey 45.19%
    Herbal 41.39%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.19 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -85 °F (USCG, 1999)
    • FP: SETS TO GLASS BELOW -65 °C

    Boiling point

    • 352 °F at 760 mmHg (USCG, 1999)
    • 176-177 °C @ 760 MM HG
    • 174.00 to 178.00 °C. @ 760.00 mm Hg

    Flash point est.
    70.0 ˚C

    Flash point expt.

    • 165 °F (USCG, 1999)
    • 162 °F OC

    Solubility expt.

    • INSOL IN WATER; SOLUBLE IN ALCOHOL, ETHER
    • 0.445 mg/mL at 25 °C
    • insoluble in water; soluble in alcohol and ether

  • Synonyms

    • 2,6-Dimethylheptan-4-ol
    • 108-82-7
    • 2,6-Dimethyl-4-heptanol
    • Diisobutylcarbinol
    • 4-Heptanol, 2,6-dimethyl-
    • DIISOBUTYL CARBINOL
    • sec-Nonyl alcohol
    • 2,6-Dimethyl heptanol-4
    • Nonyl alcohol, secondary
    • 2,6-Dimethylheptanol-4
    • 4-Hydroxy-2,6-dimethyl heptane
    • NSC 62683
    • FEMA No. 3140
    • HSDB 5140
    • UNII-X5ATE41R0F
    • EINECS 203-619-6
    • BRN 1733804
    • DTXSID8026802
    • AI3-14496
    • NSC-62683
    • X5ATE41R0F
    • 4-Heptanol, 2-6-dimethyl-
    • DTXCID006802
    • DIISOBUTYL CARBINOL [HSDB]
    • 4-01-00-01810 (Beilstein Handbook Reference)
    • 2,6-DIMETHYL-4-HEPTANOL [FHFI]
    • 4-Heptanol,2,6-dimethyl-
    • secNonyl alcohol
    • isononanols mixed
    • 2,6-Dimethyl-4-heptyl Alcohol
    • MFCD00008944
    • 2,6Dimethyl4heptanol
    • 2,6Dimethyl heptanol4
    • 4-Heptanol,6-dimethyl-
    • 4Heptanol, 2,6dimethyl
    • 2,6-dimethyl-heptan-4-ol
    • 2, 6-Dimethyl-4-heptanol
    • 4Hydroxy2,6dimethyl heptane
    • SCHEMBL22456
    • CHEMBL3187831
    • FEMA 3140
    • CHEBI:178389
    • 2,6-Dimethyl-4-heptanol, 80%
    • NSC62683
    • Tox21_202737
    • 2,6-Dimethyl-4-heptanol, >=82%
    • 2,6-Dimethyl-4-heptanol, tech grade
    • AKOS009157902
    • SB83902
    • NCGC00260285-01
    • CAS-108-82-7
    • DB-040847
    • WLN: 1Y1 & 1YQ1Y1 & 1
    • CS-0062970
    • D0732
    • NS00012301
    • EN300-7251037
    • Q27293576

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 591.93
    methanol 724.12
    isopropanol 595.36
    water 1.02
    ethyl acetate 184.31
    n-propanol 523.59
    acetone 274.98
    n-butanol 565.89
    acetonitrile 230.97
    DMF 207.38
    toluene 126.31
    isobutanol 430.57
    1,4-dioxane 590.57
    methyl acetate 161.47
    THF 1174.51
    2-butanone 232.37
    n-pentanol 318.7
    sec-butanol 508.1
    n-hexane 449.58
    ethylene glycol 89.42
    NMP 386.01
    cyclohexane 617.98
    DMSO 238.58
    n-butyl acetate 411.83
    n-octanol 339.32
    chloroform 813.24
    n-propyl acetate 167.87
    acetic acid 403.98
    dichloromethane 429.84
    cyclohexanone 565.57
    propylene glycol 192.11
    isopropyl acetate 140.24
    DMAc 171.22
    2-ethoxyethanol 201.26
    isopentanol 394.96
    n-heptane 579.5
    ethyl formate 165.9
    1,2-dichloroethane 239.38
    n-hexanol 843.07
    2-methoxyethanol 360.53
    isobutyl acetate 150.15
    tetrachloromethane 225.99
    n-pentyl acetate 221.7
    transcutol 507.19
    n-heptanol 357.81
    ethylbenzene 100.39
    MIBK 156.85
    2-propoxyethanol 537.88
    tert-butanol 667.43
    MTBE 371.53
    2-butoxyethanol 315.51
    propionic acid 299.61
    o-xylene 102.33
    formic acid 99.11
    diethyl ether 350.43
    m-xylene 107.49
    p-xylene 152.87
    chlorobenzene 185.61
    dimethyl carbonate 45.97
    n-octane 146.51
    formamide 72.07
    cyclopentanone 532.24
    2-pentanone 223.92
    anisole 131.96
    cyclopentyl methyl ether 436.76
    gamma-butyrolactone 535.58
    1-methoxy-2-propanol 293.48
    pyridine 320.93
    3-pentanone 157.56
    furfural 363.63
    n-dodecane 83.24
    diethylene glycol 262.38
    diisopropyl ether 146.26
    tert-amyl alcohol 470.2
    acetylacetone 155.42
    n-hexadecane 90.95
    acetophenone 124.21
    methyl propionate 128.47
    isopentyl acetate 372.4
    trichloroethylene 410.92
    n-nonanol 286.82
    cyclohexanol 590.86
    benzyl alcohol 134.23
    2-ethylhexanol 527.12
    isooctanol 271.61
    dipropyl ether 539.6
    1,2-dichlorobenzene 169.64
    ethyl lactate 102.79
    propylene carbonate 349.3
    n-methylformamide 135.35
    2-pentanol 379.21
    n-pentane 329.66
    1-propoxy-2-propanol 511.23
    1-methoxy-2-propyl acetate 227.04
    2-(2-methoxypropoxy) propanol 230.43
    mesitylene 90.66
    ε-caprolactone 424.39
    p-cymene 160.54
    epichlorohydrin 394.9
    1,1,1-trichloroethane 316.11
    2-aminoethanol 221.84
    morpholine-4-carbaldehyde 317.46
    sulfolane 544.63
    2,2,4-trimethylpentane 118.42
    2-methyltetrahydrofuran 716.81
    n-hexyl acetate 342.0
    isooctane 99.92
    2-(2-butoxyethoxy)ethanol 321.23
    sec-butyl acetate 121.97
    tert-butyl acetate 181.07
    decalin 160.47
    glycerin 193.64
    diglyme 432.96
    acrylic acid 214.01
    isopropyl myristate 173.57
    n-butyric acid 483.15
    acetyl acetate 118.24
    di(2-ethylhexyl) phthalate 150.74
    ethyl propionate 131.31
    nitromethane 242.66
    1,2-diethoxyethane 254.03
    benzonitrile 202.03
    trioctyl phosphate 142.9
    1-bromopropane 308.24
    gamma-valerolactone 525.16
    n-decanol 213.73
    triethyl phosphate 133.76
    4-methyl-2-pentanol 205.94
    propionitrile 255.51
    vinylene carbonate 250.77
    1,1,2-trichlorotrifluoroethane 328.71
    DMS 128.05
    cumene 93.28
    2-octanol 261.3
    2-hexanone 218.8
    octyl acetate 212.23
    limonene 301.67
    1,2-dimethoxyethane 373.33
    ethyl orthosilicate 145.81
    tributyl phosphate 161.3
    diacetone alcohol 209.01
    N,N-dimethylaniline 108.79
    acrylonitrile 190.96
    aniline 166.97
    1,3-propanediol 310.24
    bromobenzene 175.82
    dibromomethane 401.72
    1,1,2,2-tetrachloroethane 435.94
    2-methyl-cyclohexyl acetate 296.56
    tetrabutyl urea 184.65
    diisobutyl methanol 304.45
    2-phenylethanol 228.53
    styrene 104.67
    dioctyl adipate 210.33
    dimethyl sulfate 65.22
    ethyl butyrate 250.98
    methyl lactate 97.17
    butyl lactate 212.01
    diethyl carbonate 159.06
    propanediol butyl ether 296.28
    triethyl orthoformate 225.27
    p-tert-butyltoluene 167.12
    methyl 4-tert-butylbenzoate 199.58
    morpholine 672.14
    tert-butylamine 584.94
    n-dodecanol 171.17
    dimethoxymethane 157.4
    ethylene carbonate 238.48
    cyrene 194.65
    2-ethoxyethyl acetate 169.49
    2-ethylhexyl acetate 322.13
    1,2,4-trichlorobenzene 192.88
    4-methylpyridine 280.54
    dibutyl ether 372.56
    2,6-dimethyl-4-heptanol 304.45
    DEF 185.88
    dimethyl isosorbide 388.24
    tetrachloroethylene 315.61
    eugenol 176.52
    triacetin 203.93
    span 80 346.93
    1,4-butanediol 118.98
    1,1-dichloroethane 304.72
    2-methyl-1-pentanol 254.62
    methyl formate 104.14
    2-methyl-1-butanol 383.06
    n-decane 149.41
    butyronitrile 378.86
    3,7-dimethyl-1-octanol 293.39
    1-chlorooctane 256.68
    1-chlorotetradecane 114.84
    n-nonane 166.38
    undecane 108.26
    tert-butylcyclohexane 167.09
    cyclooctane 198.96
    cyclopentanol 608.09
    tetrahydropyran 860.15
    tert-amyl methyl ether 267.69
    2,5,8-trioxanonane 318.05
    1-hexene 494.15
    2-isopropoxyethanol 161.04
    2,2,2-trifluoroethanol 101.11
    methyl butyrate 190.25

    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