2-Heptanol, 3,5,6,6-tetramethyl-4-methylene-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    81787-06-6

    Molecular formula
    C12H24O

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 88.17%
    Amber 51.55%
    Dry 48.21%
    Vetiver 47.91%
    Sandalwood 44.87%
    Cedar 34.72%
    Floral 32.92%
    Musk 32.14%
    Herbal 31.69%
    Camphoreous 31.08%

     

    Flavor
    Green 38.01%
    Woody 36.43%
    Citrus 27.96%
    Herbal 27.72%
    Floral 27.04%
    Herb 24.9%
    Lily 23.88%
    Fresh 23.31%
    Mild 22.9%
    Wood 22.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.84 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 91.53 ˚C est.

  • Synonyms

    • Kohinool
    • 81787-06-6
    • 3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
    • 2-Heptanol, 3,5,6,6-tetramethyl-4-methylene-
    • SCHEMBL112430
    • KQHNSYOQXVRMSX-UHFFFAOYSA-N
    • DTXSID201002223

  • Applications

    The compound is used primarily in fragrance and personal care as a fragrance ingredient or odorant, and may function as a fixative to extend fragrance in perfumery or cosmetic formulations. It is also considered an intermediate in the synthesis of complex aroma compounds and may serve as a solvent or processing aid in coatings, paints, and inks. In household and cleaning products, it can appear as a fragrance component or a gentle solvent in cleaners. In plastics and polymers, it can be used as an intermediate for organic derivatives used in plastics formulations and to impart fragrance-related characteristics to formulations. In industrial manufacturing, it is typically viewed as an intermediate or additive for formulation blends, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 629.53
    methanol 407.91
    isopropanol 839.03
    water 1.44
    ethyl acetate 480.48
    n-propanol 636.08
    acetone 599.51
    n-butanol 630.25
    acetonitrile 483.16
    DMF 582.49
    toluene 338.58
    isobutanol 596.32
    1,4-dioxane 1184.05
    methyl acetate 462.2
    THF 1932.75
    2-butanone 582.97
    n-pentanol 348.37
    sec-butanol 687.5
    n-hexane 172.87
    ethylene glycol 82.31
    NMP 662.64
    cyclohexane 269.72
    DMSO 396.81
    n-butyl acetate 631.24
    n-octanol 411.52
    chloroform 1261.54
    n-propyl acetate 295.26
    acetic acid 308.12
    dichloromethane 865.45
    cyclohexanone 887.44
    propylene glycol 236.2
    isopropyl acetate 368.81
    DMAc 493.73
    2-ethoxyethanol 318.68
    isopentanol 552.09
    n-heptane 243.31
    ethyl formate 314.21
    1,2-dichloroethane 492.21
    n-hexanol 814.8
    2-methoxyethanol 541.94
    isobutyl acetate 256.81
    tetrachloromethane 343.59
    n-pentyl acetate 344.24
    transcutol 859.09
    n-heptanol 408.17
    ethylbenzene 245.78
    MIBK 342.72
    2-propoxyethanol 702.09
    tert-butanol 1162.11
    MTBE 877.16
    2-butoxyethanol 408.73
    propionic acid 353.11
    o-xylene 269.72
    formic acid 69.21
    diethyl ether 576.35
    m-xylene 288.8
    p-xylene 343.21
    chlorobenzene 382.17
    dimethyl carbonate 140.34
    n-octane 78.76
    formamide 103.66
    cyclopentanone 1060.5
    2-pentanone 475.44
    anisole 380.32
    cyclopentyl methyl ether 742.27
    gamma-butyrolactone 996.63
    1-methoxy-2-propanol 583.47
    pyridine 549.12
    3-pentanone 339.75
    furfural 647.17
    n-dodecane 50.78
    diethylene glycol 354.67
    diisopropyl ether 266.99
    tert-amyl alcohol 802.24
    acetylacetone 450.53
    n-hexadecane 58.26
    acetophenone 312.85
    methyl propionate 340.63
    isopentyl acetate 584.45
    trichloroethylene 908.72
    n-nonanol 338.88
    cyclohexanol 646.21
    benzyl alcohol 265.6
    2-ethylhexanol 518.78
    isooctanol 335.75
    dipropyl ether 572.26
    1,2-dichlorobenzene 350.13
    ethyl lactate 175.54
    propylene carbonate 616.8
    n-methylformamide 260.02
    2-pentanol 481.34
    n-pentane 172.57
    1-propoxy-2-propanol 668.02
    1-methoxy-2-propyl acetate 513.12
    2-(2-methoxypropoxy) propanol 375.73
    mesitylene 210.94
    ε-caprolactone 725.04
    p-cymene 262.22
    epichlorohydrin 907.19
    1,1,1-trichloroethane 781.93
    2-aminoethanol 229.41
    morpholine-4-carbaldehyde 698.85
    sulfolane 929.47
    2,2,4-trimethylpentane 97.06
    2-methyltetrahydrofuran 1294.3
    n-hexyl acetate 539.86
    isooctane 86.76
    2-(2-butoxyethoxy)ethanol 462.12
    sec-butyl acetate 250.91
    tert-butyl acetate 491.07
    decalin 123.54
    glycerin 226.64
    diglyme 736.48
    acrylic acid 227.33
    isopropyl myristate 256.22
    n-butyric acid 540.98
    acetyl acetate 290.18
    di(2-ethylhexyl) phthalate 209.24
    ethyl propionate 272.22
    nitromethane 435.87
    1,2-diethoxyethane 448.08
    benzonitrile 363.63
    trioctyl phosphate 188.41
    1-bromopropane 486.15
    gamma-valerolactone 1057.07
    n-decanol 256.56
    triethyl phosphate 192.21
    4-methyl-2-pentanol 315.53
    propionitrile 486.17
    vinylene carbonate 477.65
    1,1,2-trichlorotrifluoroethane 529.14
    DMS 275.69
    cumene 204.48
    2-octanol 307.67
    2-hexanone 337.4
    octyl acetate 305.22
    limonene 396.79
    1,2-dimethoxyethane 639.22
    ethyl orthosilicate 200.37
    tributyl phosphate 193.71
    diacetone alcohol 502.8
    N,N-dimethylaniline 282.37
    acrylonitrile 389.01
    aniline 352.59
    1,3-propanediol 357.19
    bromobenzene 403.21
    dibromomethane 679.55
    1,1,2,2-tetrachloroethane 787.33
    2-methyl-cyclohexyl acetate 407.17
    tetrabutyl urea 245.6
    diisobutyl methanol 336.23
    2-phenylethanol 392.21
    styrene 241.5
    dioctyl adipate 296.46
    dimethyl sulfate 219.29
    ethyl butyrate 417.6
    methyl lactate 208.42
    butyl lactate 293.88
    diethyl carbonate 259.29
    propanediol butyl ether 425.4
    triethyl orthoformate 315.71
    p-tert-butyltoluene 284.79
    methyl 4-tert-butylbenzoate 393.55
    morpholine 1209.22
    tert-butylamine 868.55
    n-dodecanol 199.61
    dimethoxymethane 417.02
    ethylene carbonate 419.93
    cyrene 340.52
    2-ethoxyethyl acetate 336.42
    2-ethylhexyl acetate 478.6
    1,2,4-trichlorobenzene 421.02
    4-methylpyridine 612.42
    dibutyl ether 411.96
    2,6-dimethyl-4-heptanol 336.23
    DEF 404.61
    dimethyl isosorbide 692.44
    tetrachloroethylene 509.28
    eugenol 307.56
    triacetin 354.26
    span 80 433.84
    1,4-butanediol 129.11
    1,1-dichloroethane 749.31
    2-methyl-1-pentanol 317.27
    methyl formate 219.52
    2-methyl-1-butanol 500.2
    n-decane 96.34
    butyronitrile 574.71
    3,7-dimethyl-1-octanol 396.88
    1-chlorooctane 291.31
    1-chlorotetradecane 115.63
    n-nonane 101.23
    undecane 67.66
    tert-butylcyclohexane 136.08
    cyclooctane 102.16
    cyclopentanol 734.0
    tetrahydropyran 1261.19
    tert-amyl methyl ether 558.35
    2,5,8-trioxanonane 511.95
    1-hexene 363.35
    2-isopropoxyethanol 292.74
    2,2,2-trifluoroethanol 127.77
    methyl butyrate 349.82

    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