2-Heptanol, 6-methyl-

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  • Identifiers

    CAS number
    4730-22-7

    Molecular formula
    C8H18O

    SMILES
    CC(C)CCCC(C)O

  • Odor profile

    Green 80.51%
    Floral 69.13%
    Oily 62.61%
    Sweet 52.63%
    Fruity 50.17%
    Fermented 43.7%
    Herbal 42.61%
    Fresh 41.9%
    Fatty 40.89%
    Rose 39.95%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.26 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    172°C

    Flash point est.
    67.37 ˚C

  • Synonyms

    • 6-Methyl-2-heptanol
    • 4730-22-7
    • 6-Methylheptan-2-ol
    • 2-Heptanol, 6-methyl-
    • 2-Methylheptan-6-ol
    • NSC 75858
    • (+/-)-6-Methyl-2-heptanol; 1,5-Dimethyl-1-hexanol; 2-Hydroxy-6-methylheptane; 2-Methylheptan-6-ol; NSC 75858
    • NSC75858
    • EINECS 225-232-1
    • MFCD00004562
    • 6-methyl-heptan-2-ol
    • AI3-25069
    • iso-Hexyl methyl carbinol
    • SCHEMBL196610
    • 6-Methyl-2-heptanol, 99%
    • FCOUHTHQYOMLJT-UHFFFAOYSA-
    • DTXSID60871096
    • NSC-75858
    • AKOS009159280
    • SB45973
    • SB84226
    • DB-242814
    • M0791
    • NS00045570
    • D91384
    • EN300-1858214
    • InChI=1/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2025.87
    methanol 1480.1
    isopropanol 1857.21
    water 1.39
    ethyl acetate 510.85
    n-propanol 1569.95
    acetone 790.77
    n-butanol 1719.19
    acetonitrile 487.3
    DMF 458.72
    toluene 159.54
    isobutanol 1126.66
    1,4-dioxane 1227.79
    methyl acetate 377.68
    THF 2406.51
    2-butanone 563.5
    n-pentanol 906.75
    sec-butanol 1264.57
    n-hexane 427.66
    ethylene glycol 242.97
    NMP 444.54
    cyclohexane 437.81
    DMSO 687.04
    n-butyl acetate 916.24
    n-octanol 542.65
    chloroform 1019.23
    n-propyl acetate 369.63
    acetic acid 801.4
    dichloromethane 664.62
    cyclohexanone 948.18
    propylene glycol 531.08
    isopropyl acetate 344.74
    DMAc 268.71
    2-ethoxyethanol 656.35
    isopentanol 1249.36
    n-heptane 564.17
    ethyl formate 367.5
    1,2-dichloroethane 392.94
    n-hexanol 1862.01
    2-methoxyethanol 1206.22
    isobutyl acetate 246.86
    tetrachloromethane 247.93
    n-pentyl acetate 348.56
    transcutol 1536.69
    n-heptanol 648.25
    ethylbenzene 111.21
    MIBK 329.09
    2-propoxyethanol 1391.28
    tert-butanol 1805.44
    MTBE 820.06
    2-butoxyethanol 682.23
    propionic acid 631.77
    o-xylene 117.95
    formic acid 189.56
    diethyl ether 838.79
    m-xylene 136.3
    p-xylene 154.66
    chlorobenzene 194.04
    dimethyl carbonate 64.7
    n-octane 116.56
    formamide 171.04
    cyclopentanone 906.34
    2-pentanone 567.51
    anisole 200.96
    cyclopentyl methyl ether 804.6
    gamma-butyrolactone 781.62
    1-methoxy-2-propanol 946.87
    pyridine 507.33
    3-pentanone 305.57
    furfural 537.6
    n-dodecane 67.94
    diethylene glycol 681.65
    diisopropyl ether 274.78
    tert-amyl alcohol 1044.52
    acetylacetone 355.74
    n-hexadecane 72.77
    acetophenone 157.82
    methyl propionate 276.6
    isopentyl acetate 700.83
    trichloroethylene 606.18
    n-nonanol 432.91
    cyclohexanol 1114.44
    benzyl alcohol 195.2
    2-ethylhexanol 1025.92
    isooctanol 438.56
    dipropyl ether 1031.48
    1,2-dichlorobenzene 165.28
    ethyl lactate 164.75
    propylene carbonate 455.56
    n-methylformamide 320.45
    2-pentanol 999.1
    n-pentane 371.63
    1-propoxy-2-propanol 1237.18
    1-methoxy-2-propyl acetate 507.82
    2-(2-methoxypropoxy) propanol 406.39
    mesitylene 102.55
    ε-caprolactone 734.24
    p-cymene 167.7
    epichlorohydrin 787.23
    1,1,1-trichloroethane 435.79
    2-aminoethanol 654.47
    morpholine-4-carbaldehyde 617.47
    sulfolane 666.63
    2,2,4-trimethylpentane 125.67
    2-methyltetrahydrofuran 1606.9
    n-hexyl acetate 533.4
    isooctane 109.4
    2-(2-butoxyethoxy)ethanol 674.87
    sec-butyl acetate 245.47
    tert-butyl acetate 375.74
    decalin 126.28
    glycerin 474.92
    diglyme 952.58
    acrylic acid 357.95
    isopropyl myristate 210.23
    n-butyric acid 1209.44
    acetyl acetate 224.94
    di(2-ethylhexyl) phthalate 174.66
    ethyl propionate 258.6
    nitromethane 542.42
    1,2-diethoxyethane 632.11
    benzonitrile 265.42
    trioctyl phosphate 171.73
    1-bromopropane 527.56
    gamma-valerolactone 1042.18
    n-decanol 308.07
    triethyl phosphate 172.97
    4-methyl-2-pentanol 473.36
    propionitrile 530.24
    vinylene carbonate 309.7
    1,1,2-trichlorotrifluoroethane 537.44
    DMS 172.79
    cumene 94.38
    2-octanol 374.53
    2-hexanone 455.64
    octyl acetate 264.76
    limonene 375.32
    1,2-dimethoxyethane 942.97
    ethyl orthosilicate 193.7
    tributyl phosphate 198.82
    diacetone alcohol 479.08
    N,N-dimethylaniline 137.7
    acrylonitrile 354.76
    aniline 279.72
    1,3-propanediol 989.92
    bromobenzene 178.43
    dibromomethane 585.75
    1,1,2,2-tetrachloroethane 574.5
    2-methyl-cyclohexyl acetate 374.39
    tetrabutyl urea 227.43
    diisobutyl methanol 440.72
    2-phenylethanol 339.2
    styrene 122.27
    dioctyl adipate 275.13
    dimethyl sulfate 84.69
    ethyl butyrate 514.1
    methyl lactate 177.77
    butyl lactate 313.89
    diethyl carbonate 247.89
    propanediol butyl ether 609.33
    triethyl orthoformate 383.36
    p-tert-butyltoluene 176.46
    methyl 4-tert-butylbenzoate 226.87
    morpholine 1602.06
    tert-butylamine 1307.25
    n-dodecanol 232.78
    dimethoxymethane 362.39
    ethylene carbonate 324.61
    cyrene 253.83
    2-ethoxyethyl acetate 324.49
    2-ethylhexyl acetate 548.75
    1,2,4-trichlorobenzene 198.65
    4-methylpyridine 439.33
    dibutyl ether 609.4
    2,6-dimethyl-4-heptanol 440.72
    DEF 414.69
    dimethyl isosorbide 552.37
    tetrachloroethylene 406.11
    eugenol 229.53
    triacetin 293.79
    span 80 566.41
    1,4-butanediol 327.29
    1,1-dichloroethane 528.65
    2-methyl-1-pentanol 616.04
    methyl formate 185.92
    2-methyl-1-butanol 987.53
    n-decane 125.35
    butyronitrile 881.46
    3,7-dimethyl-1-octanol 466.13
    1-chlorooctane 272.26
    1-chlorotetradecane 105.38
    n-nonane 137.67
    undecane 87.57
    tert-butylcyclohexane 133.85
    cyclooctane 144.58
    cyclopentanol 1166.59
    tetrahydropyran 1752.95
    tert-amyl methyl ether 532.94
    2,5,8-trioxanonane 617.79
    1-hexene 705.69
    2-isopropoxyethanol 444.41
    2,2,2-trifluoroethanol 144.56
    methyl butyrate 381.96

    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