2,6-Dimethyl-2-heptanol

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  • Identifiers

    CAS number
    13254-34-7

    Molecular formula
    C9H20O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 83.33%
    Citrus 73.06%
    Fresh 65.97%
    Herbal 58.33%
    Rose 57.44%
    Lemon 56.24%
    Woody 51.75%
    Sweet 49.03%
    Lily 45.53%
    Lavender 44.55%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    180°C

    Flash point est.
    67.29 ˚C

  • Synonyms

    • 2,6-Dimethyl-2-heptanol
    • 2,6-Dimethylheptan-2-ol
    • 13254-34-7
    • 2-Heptanol, 2,6-dimethyl-
    • Dimetol
    • Freesiol
    • Lolitol
    • EINECS 236-244-1
    • BRN 1733525
    • DTXSID6041424
    • UNII-991142090Z
    • 2,6-Dimethyl n-heptan-2-ol
    • DTXCID4021424
    • 2-01-00-00457 (Beilstein Handbook Reference)
    • 991142090Z
    • MFCD00072198
    • SCHEMBL81885
    • 2,6-Dimethyl-2-heptanol #
    • CHEMBL3187118
    • Tox21_301948
    • 2,6-Dimethyl-2-heptanol, AldrichCPR
    • AKOS015841491
    • NCGC00255687-01
    • AS-75442
    • CAS-13254-34-7
    • NS00012300
    • E79348
    • Q27272159

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1208.62
    methanol 1116.24
    isopropanol 1124.38
    water 2.55
    ethyl acetate 457.53
    n-propanol 936.89
    acetone 506.82
    n-butanol 1087.21
    acetonitrile 355.43
    DMF 411.96
    toluene 207.63
    isobutanol 706.41
    1,4-dioxane 1108.6
    methyl acetate 349.37
    THF 1758.88
    2-butanone 439.48
    n-pentanol 618.14
    sec-butanol 868.01
    n-hexane 534.19
    ethylene glycol 186.87
    NMP 464.12
    cyclohexane 535.86
    DMSO 358.51
    n-butyl acetate 723.21
    n-octanol 696.75
    chloroform 910.09
    n-propyl acetate 335.77
    acetic acid 509.57
    dichloromethane 507.25
    cyclohexanone 741.16
    propylene glycol 412.91
    isopropyl acetate 361.17
    DMAc 358.53
    2-ethoxyethanol 524.5
    isopentanol 859.63
    n-heptane 704.6
    ethyl formate 274.49
    1,2-dichloroethane 286.41
    n-hexanol 1553.75
    2-methoxyethanol 896.91
    isobutyl acetate 272.25
    tetrachloromethane 244.14
    n-pentyl acetate 382.02
    transcutol 1558.03
    n-heptanol 679.45
    ethylbenzene 162.62
    MIBK 318.62
    2-propoxyethanol 1222.47
    tert-butanol 1272.36
    MTBE 857.2
    2-butoxyethanol 692.54
    propionic acid 451.19
    o-xylene 160.96
    formic acid 162.79
    diethyl ether 722.7
    m-xylene 173.07
    p-xylene 222.18
    chlorobenzene 209.64
    dimethyl carbonate 88.25
    n-octane 183.41
    formamide 143.83
    cyclopentanone 658.23
    2-pentanone 444.83
    anisole 259.77
    cyclopentyl methyl ether 728.33
    gamma-butyrolactone 566.07
    1-methoxy-2-propanol 792.38
    pyridine 419.14
    3-pentanone 291.5
    furfural 435.31
    n-dodecane 122.77
    diethylene glycol 648.75
    diisopropyl ether 315.29
    tert-amyl alcohol 947.99
    acetylacetone 312.27
    n-hexadecane 131.06
    acetophenone 192.93
    methyl propionate 286.85
    isopentyl acetate 661.88
    trichloroethylene 449.02
    n-nonanol 587.8
    cyclohexanol 907.45
    benzyl alcohol 209.83
    2-ethylhexanol 978.49
    isooctanol 498.61
    dipropyl ether 946.12
    1,2-dichlorobenzene 182.25
    ethyl lactate 194.19
    propylene carbonate 394.78
    n-methylformamide 247.51
    2-pentanol 726.39
    n-pentane 406.04
    1-propoxy-2-propanol 1144.58
    1-methoxy-2-propyl acetate 554.05
    2-(2-methoxypropoxy) propanol 543.57
    mesitylene 146.79
    ε-caprolactone 640.27
    p-cymene 230.89
    epichlorohydrin 574.08
    1,1,1-trichloroethane 403.27
    2-aminoethanol 480.62
    morpholine-4-carbaldehyde 664.19
    sulfolane 515.71
    2,2,4-trimethylpentane 170.6
    2-methyltetrahydrofuran 1187.08
    n-hexyl acetate 664.53
    isooctane 147.45
    2-(2-butoxyethoxy)ethanol 816.18
    sec-butyl acetate 270.58
    tert-butyl acetate 444.2
    decalin 192.87
    glycerin 414.1
    diglyme 1044.29
    acrylic acid 265.92
    isopropyl myristate 303.45
    n-butyric acid 770.24
    acetyl acetate 234.22
    di(2-ethylhexyl) phthalate 237.16
    ethyl propionate 280.29
    nitromethane 369.11
    1,2-diethoxyethane 601.07
    benzonitrile 269.69
    trioctyl phosphate 227.08
    1-bromopropane 421.54
    gamma-valerolactone 833.79
    n-decanol 429.48
    triethyl phosphate 207.51
    4-methyl-2-pentanol 441.94
    propionitrile 406.12
    vinylene carbonate 281.28
    1,1,2-trichlorotrifluoroethane 464.02
    DMS 227.65
    cumene 145.13
    2-octanol 456.93
    2-hexanone 380.41
    octyl acetate 374.4
    limonene 421.28
    1,2-dimethoxyethane 831.69
    ethyl orthosilicate 239.08
    tributyl phosphate 252.07
    diacetone alcohol 496.79
    N,N-dimethylaniline 206.61
    acrylonitrile 276.32
    aniline 282.42
    1,3-propanediol 653.47
    bromobenzene 207.87
    dibromomethane 469.8
    1,1,2,2-tetrachloroethane 474.98
    2-methyl-cyclohexyl acetate 443.59
    tetrabutyl urea 295.18
    diisobutyl methanol 464.81
    2-phenylethanol 382.96
    styrene 165.45
    dioctyl adipate 355.16
    dimethyl sulfate 105.28
    ethyl butyrate 456.72
    methyl lactate 201.99
    butyl lactate 360.88
    diethyl carbonate 262.49
    propanediol butyl ether 689.47
    triethyl orthoformate 430.77
    p-tert-butyltoluene 250.9
    methyl 4-tert-butylbenzoate 314.01
    morpholine 1345.5
    tert-butylamine 1030.9
    n-dodecanol 335.85
    dimethoxymethane 379.59
    ethylene carbonate 294.81
    cyrene 323.23
    2-ethoxyethyl acetate 357.91
    2-ethylhexyl acetate 554.66
    1,2,4-trichlorobenzene 219.38
    4-methylpyridine 413.97
    dibutyl ether 674.7
    2,6-dimethyl-4-heptanol 464.81
    DEF 400.16
    dimethyl isosorbide 679.04
    tetrachloroethylene 344.5
    eugenol 289.51
    triacetin 393.71
    span 80 699.82
    1,4-butanediol 239.4
    1,1-dichloroethane 403.15
    2-methyl-1-pentanol 506.09
    methyl formate 161.44
    2-methyl-1-butanol 733.92
    n-decane 218.33
    butyronitrile 606.14
    3,7-dimethyl-1-octanol 588.74
    1-chlorooctane 373.99
    1-chlorotetradecane 169.03
    n-nonane 235.49
    undecane 157.38
    tert-butylcyclohexane 204.25
    cyclooctane 217.75
    cyclopentanol 774.96
    tetrahydropyran 1371.54
    tert-amyl methyl ether 622.52
    2,5,8-trioxanonane 708.08
    1-hexene 673.6
    2-isopropoxyethanol 418.87
    2,2,2-trifluoroethanol 124.57
    methyl butyrate 352.22

    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