2,6-Dimethyl-5-hepten-1-ol

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  • Identifiers

    CAS number
    4234-93-9

    Molecular formula
    C9H18O

    SMILES
    CC(CCC=C(C)C)CO

  • Odor profile

    Citrus 53.3%
    Green 52.06%
    Floral 51.05%
    Waxy 48.66%
    Oily 47.9%
    Fresh 46.26%
    Fatty 40.9%
    Rose 39.64%
    Sweet 39.29%
    Herbal 37.95%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    204°C

    Flash point est.
    82.87 ˚C

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • 2,6-Dimethyl-5-hepten-1-ol
    • 4234-93-9
    • 2,6-dimethylhept-5-en-1-ol
    • Melonol
    • 5-Hepten-1-ol, 2,6-dimethyl-
    • Fema No. 4789
    • 2,6-Dimethyl-5-heptenol
    • 5AJ2S4WYF5
    • NSC-46306
    • UNII-5AJ2S4WYF5
    • (+/-)-2,6-Dimethyl-5-heptenol
    • 2,6-Dimethyl-5-heptenol, (+/-)-
    • CHEBI:87594
    • DTXSID90286518
    • NSC46306
    • 5-Hepten-1-ol,6-dimethyl-
    • SCHEMBL811437
    • DTXCID50237667
    • 2,6-Dimethyl-5-hepten-1-ol #
    • LMFA05000120
    • AKOS015901982
    • 2,6-dimethyl-5-hepten-1-ol, Melonol
    • NS00057972
    • Q27159759
    • 860-441-7

  • Applications

    2,6-Dimethyl-5-heptenol (CAS 4234-93-9) is a branched aliphatic alcohol with a fresh green-citrus, slightly woody odour, widely employed as a mid-top note modifier in fine fragrances, soaps, detergents and personal-care formulations; it is also used in food flavourings to impart light fruity-herbal nuances, in tobacco as a flavour enhancer, and as a versatile intermediate for producing fruity-smelling esters and specialty surfactants for textile finishing and technical lubricants, thanks to its good solvent compatibility and stable odour performance across broad pH and temperature ranges.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4084.56
    methanol 3305.03
    isopropanol 3264.92
    water 1.98
    ethyl acetate 1359.21
    n-propanol 3099.34
    acetone 1533.92
    n-butanol 3620.29
    acetonitrile 1305.33
    DMF 837.03
    toluene 538.74
    isobutanol 1974.72
    1,4-dioxane 2184.08
    methyl acetate 938.9
    THF 3175.87
    2-butanone 1361.21
    n-pentanol 1953.26
    sec-butanol 2577.99
    n-hexane 657.27
    ethylene glycol 334.75
    NMP 549.52
    cyclohexane 677.71
    DMSO 1064.63
    n-butyl acetate 1659.74
    n-octanol 696.45
    chloroform 2384.03
    n-propyl acetate 963.41
    acetic acid 1536.59
    dichloromethane 1637.56
    cyclohexanone 1395.99
    propylene glycol 700.92
    isopropyl acetate 736.91
    DMAc 537.44
    2-ethoxyethanol 1514.85
    isopentanol 2429.3
    n-heptane 503.23
    ethyl formate 880.61
    1,2-dichloroethane 957.57
    n-hexanol 2553.81
    2-methoxyethanol 2453.41
    isobutyl acetate 507.22
    tetrachloromethane 636.22
    n-pentyl acetate 622.74
    transcutol 3187.61
    n-heptanol 896.9
    ethylbenzene 288.11
    MIBK 659.14
    2-propoxyethanol 2078.57
    tert-butanol 3106.31
    MTBE 1948.86
    2-butoxyethanol 1164.59
    propionic acid 1105.61
    o-xylene 294.51
    formic acid 400.57
    diethyl ether 2400.0
    m-xylene 353.42
    p-xylene 340.24
    chlorobenzene 516.99
    dimethyl carbonate 133.61
    n-octane 112.62
    formamide 457.27
    cyclopentanone 1169.97
    2-pentanone 1346.67
    anisole 511.08
    cyclopentyl methyl ether 1337.04
    gamma-butyrolactone 1032.69
    1-methoxy-2-propanol 1715.56
    pyridine 1316.29
    3-pentanone 687.78
    furfural 970.69
    n-dodecane 50.37
    diethylene glycol 931.51
    diisopropyl ether 564.74
    tert-amyl alcohol 2285.39
    acetylacetone 622.75
    n-hexadecane 56.13
    acetophenone 356.8
    methyl propionate 607.82
    isopentyl acetate 1187.11
    trichloroethylene 1496.7
    n-nonanol 544.11
    cyclohexanol 1698.09
    benzyl alcohol 495.65
    2-ethylhexanol 1347.01
    isooctanol 627.53
    dipropyl ether 1587.24
    1,2-dichlorobenzene 391.09
    ethyl lactate 297.75
    propylene carbonate 649.98
    n-methylformamide 750.69
    2-pentanol 2233.49
    n-pentane 674.8
    1-propoxy-2-propanol 1783.47
    1-methoxy-2-propyl acetate 791.31
    2-(2-methoxypropoxy) propanol 574.17
    mesitylene 217.61
    ε-caprolactone 1156.6
    p-cymene 269.73
    epichlorohydrin 1378.87
    1,1,1-trichloroethane 1102.5
    2-aminoethanol 1080.01
    morpholine-4-carbaldehyde 940.46
    sulfolane 777.67
    2,2,4-trimethylpentane 203.64
    2-methyltetrahydrofuran 2560.62
    n-hexyl acetate 789.86
    isooctane 176.2
    2-(2-butoxyethoxy)ethanol 1024.45
    sec-butyl acetate 584.31
    tert-butyl acetate 703.36
    decalin 177.14
    glycerin 629.67
    diglyme 1642.54
    acrylic acid 639.26
    isopropyl myristate 239.15
    n-butyric acid 2238.08
    acetyl acetate 445.36
    di(2-ethylhexyl) phthalate 215.64
    ethyl propionate 613.9
    nitromethane 1123.31
    1,2-diethoxyethane 1391.68
    benzonitrile 670.81
    trioctyl phosphate 183.16
    1-bromopropane 1243.01
    gamma-valerolactone 1452.2
    n-decanol 359.99
    triethyl phosphate 235.99
    4-methyl-2-pentanol 970.28
    propionitrile 1414.7
    vinylene carbonate 512.32
    1,1,2-trichlorotrifluoroethane 931.64
    DMS 254.2
    cumene 194.57
    2-octanol 543.97
    2-hexanone 1038.87
    octyl acetate 309.65
    limonene 523.83
    1,2-dimethoxyethane 1921.21
    ethyl orthosilicate 301.5
    tributyl phosphate 226.98
    diacetone alcohol 853.51
    N,N-dimethylaniline 298.89
    acrylonitrile 995.59
    aniline 834.81
    1,3-propanediol 1744.85
    bromobenzene 483.38
    dibromomethane 1428.59
    1,1,2,2-tetrachloroethane 1322.74
    2-methyl-cyclohexyl acetate 508.67
    tetrabutyl urea 241.61
    diisobutyl methanol 632.01
    2-phenylethanol 636.33
    styrene 354.59
    dioctyl adipate 313.27
    dimethyl sulfate 151.95
    ethyl butyrate 997.23
    methyl lactate 288.08
    butyl lactate 451.39
    diethyl carbonate 456.46
    propanediol butyl ether 836.21
    triethyl orthoformate 644.44
    p-tert-butyltoluene 267.98
    methyl 4-tert-butylbenzoate 342.38
    morpholine 3250.21
    tert-butylamine 2429.59
    n-dodecanol 254.04
    dimethoxymethane 763.51
    ethylene carbonate 524.87
    cyrene 374.92
    2-ethoxyethyl acetate 622.18
    2-ethylhexyl acetate 922.53
    1,2,4-trichlorobenzene 431.11
    4-methylpyridine 1196.07
    dibutyl ether 888.7
    2,6-dimethyl-4-heptanol 632.01
    DEF 971.09
    dimethyl isosorbide 688.54
    tetrachloroethylene 984.07
    eugenol 358.12
    triacetin 430.65
    span 80 662.98
    1,4-butanediol 590.28
    1,1-dichloroethane 1322.47
    2-methyl-1-pentanol 1349.83
    methyl formate 404.04
    2-methyl-1-butanol 2063.17
    n-decane 118.11
    butyronitrile 2195.4
    3,7-dimethyl-1-octanol 657.51
    1-chlorooctane 356.33
    1-chlorotetradecane 104.71
    n-nonane 132.51
    undecane 72.09
    tert-butylcyclohexane 189.32
    cyclooctane 204.62
    cyclopentanol 1428.09
    tetrahydropyran 3229.03
    tert-amyl methyl ether 1168.57
    2,5,8-trioxanonane 875.09
    1-hexene 1579.4
    2-isopropoxyethanol 961.25
    2,2,2-trifluoroethanol 253.89
    methyl butyrate 907.57

    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

Botanical

Name CAS Botanical Proportion
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.06%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.13%
Swangi (Citrus hystrix) twig (Thailand) 2e Citrus hystrix DC (Swangi), fam. Rutaceae 0.1%
Swangi (Citrus hystrix) peel (Thailand) 2d Citrus hystrix DC (Swangi), fam. Rutaceae 0.01%
Litsea cubeba (India) 2a stem 68555-99-2 Litsea cubeba (Lour.) Pers. (L. citrata Blume), fam. Lauraceae 1.95%