4,8-Dimethyl-3,7-nonadien-2-ol

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  • Identifiers

    CAS number
    67845-50-5

    Molecular formula
    C11H20O

    SMILES
    CC(/C=C(\C)/CCC=C(C)C)O

  • Odor profile

    Fragrance
    Floral 72.83%
    Citrus 67.27%
    Lemon 58.52%
    Sweet 54.76%
    Rose 50.27%
    Fresh 49.96%
    Woody 47.25%
    Waxy 42.36%
    Green 38.06%
    Herbal 37.97%

     

    Flavor
    Floral 82.15%
    Sweet 74.98%
    Citrus 66.61%
    Green 64.34%
    Waxy 57.05%
    Rose 48.47%
    Lemon 46.74%
    Woody 45.09%
    Flower 43.52%
    Fresh 41.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.49 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 234.00 to 235.00 °C. @ 760.00 mm Hg

    Flash point

    • 96.1 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in most non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • 4,8-Dimethyl-3,7-nonadien-2-ol
    • 67845-50-5
    • (3E)-4,8-dimethylnona-3,7-dien-2-ol
    • 4,8-Dimethylnona-3,7-dien-2-ol
    • (3E)-4,8-Dimethyl-3,7-nonadien-2-ol
    • FEMA No. 4102, E-
    • UNII-5UBO74OI9O
    • 4,8-Dimethyl-3,7-nonadien-2-ol,(3E)-
    • 5UBO74OI9O
    • AI3-38063
    • 3,7-Nonadien-2-ol, 4,8-dimethyl-, (E)-
    • EINECS 267-321-8
    • 3,7-Nonadien-2-ol, 4,8-dimethyl-, (3E)-
    • 34562-09-9
    • (+/-)-(E)-4,8-dimethyl-3,7-nonadien-2-ol
    • 3,7-Nonadien-2-ol, 4,8-dimethyl-
    • 4O445600AL
    • (+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol
    • DTXSID20867359
    • UNII-4O445600AL
    • SCHEMBL808086
    • FEMA NO. 4102
    • DTXCID60815551
    • AKOS025296128
    • HS-6473
    • (E)-4,8-dimethylnona-3,7-dien-2-ol
    • trans-4,8-dimethyl-3,7-nonadien-2-ol
    • (3E)-4,8-dimethyl-nona-3,7-dien-2-ol
    • Q27262892
    • (+/-)-CIS-AND TRANS-4,8-DIMETHYL-3,7-NONADIEN-2-OL
    • (+/-)-TRANS-AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-OL
    • (+/-)-TRANS-AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-OL [FHFI]

  • Applications

    4,8-Dimethyl-3,7-nonadien-2-ol (CAS 67845-50-5) is typically used as an odorant and aroma constituent in perfumery and fragrance blends; it may be employed in cosmetics and personal care products as a fragrance ingredient; it is evaluated for flavor/aroma applications in the food and beverage sector; it can serve as an intermediate in organic synthesis, providing a chiral allylic alcohol scaffold for the preparation of fragrance-related derivatives; and it may act as a fragrance additive in household cleaning products such as detergents and surface cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1823.88
    methanol 1509.9
    isopropanol 1571.11
    water 0.93
    ethyl acetate 642.92
    n-propanol 1237.91
    acetone 724.51
    n-butanol 1384.1
    acetonitrile 492.82
    DMF 506.16
    toluene 271.79
    isobutanol 870.73
    1,4-dioxane 1541.34
    methyl acetate 454.29
    THF 2085.7
    2-butanone 577.81
    n-pentanol 850.57
    sec-butanol 1074.16
    n-hexane 651.48
    ethylene glycol 152.78
    NMP 413.42
    cyclohexane 558.77
    DMSO 464.81
    n-butyl acetate 708.78
    n-octanol 559.65
    chloroform 938.42
    n-propyl acetate 385.2
    acetic acid 555.4
    dichloromethane 531.39
    cyclohexanone 726.49
    propylene glycol 412.0
    isopropyl acetate 413.47
    DMAc 435.73
    2-ethoxyethanol 700.76
    isopentanol 1001.69
    n-heptane 537.0
    ethyl formate 287.22
    1,2-dichloroethane 359.65
    n-hexanol 1697.13
    2-methoxyethanol 1090.85
    isobutyl acetate 281.84
    tetrachloromethane 214.7
    n-pentyl acetate 340.05
    transcutol 1864.47
    n-heptanol 570.43
    ethylbenzene 153.81
    MIBK 370.12
    2-propoxyethanol 1374.43
    tert-butanol 1771.22
    MTBE 1239.95
    2-butoxyethanol 651.64
    propionic acid 432.33
    o-xylene 176.17
    formic acid 138.07
    diethyl ether 1313.3
    m-xylene 215.45
    p-xylene 192.59
    chlorobenzene 226.25
    dimethyl carbonate 92.89
    n-octane 135.9
    formamide 129.61
    cyclopentanone 624.02
    2-pentanone 613.93
    anisole 283.28
    cyclopentyl methyl ether 875.87
    gamma-butyrolactone 537.11
    1-methoxy-2-propanol 909.34
    pyridine 504.38
    3-pentanone 370.8
    furfural 387.94
    n-dodecane 75.17
    diethylene glycol 595.83
    diisopropyl ether 402.75
    tert-amyl alcohol 1161.74
    acetylacetone 361.31
    n-hexadecane 82.53
    acetophenone 199.21
    methyl propionate 357.56
    isopentyl acetate 573.78
    trichloroethylene 555.58
    n-nonanol 463.34
    cyclohexanol 935.48
    benzyl alcohol 238.35
    2-ethylhexanol 800.86
    isooctanol 396.18
    dipropyl ether 1024.11
    1,2-dichlorobenzene 179.5
    ethyl lactate 179.67
    propylene carbonate 337.73
    n-methylformamide 247.03
    2-pentanol 953.79
    n-pentane 565.75
    1-propoxy-2-propanol 1105.22
    1-methoxy-2-propyl acetate 495.99
    2-(2-methoxypropoxy) propanol 435.4
    mesitylene 155.4
    ε-caprolactone 605.42
    p-cymene 166.91
    epichlorohydrin 635.14
    1,1,1-trichloroethane 478.06
    2-aminoethanol 438.53
    morpholine-4-carbaldehyde 628.24
    sulfolane 470.81
    2,2,4-trimethylpentane 154.38
    2-methyltetrahydrofuran 1346.53
    n-hexyl acetate 558.3
    isooctane 137.19
    2-(2-butoxyethoxy)ethanol 726.91
    sec-butyl acetate 291.37
    tert-butyl acetate 473.61
    decalin 162.22
    glycerin 340.99
    diglyme 1003.33
    acrylic acid 241.21
    isopropyl myristate 217.57
    n-butyric acid 838.65
    acetyl acetate 253.45
    di(2-ethylhexyl) phthalate 176.99
    ethyl propionate 286.18
    nitromethane 395.77
    1,2-diethoxyethane 785.34
    benzonitrile 270.34
    trioctyl phosphate 153.75
    1-bromopropane 525.07
    gamma-valerolactone 761.17
    n-decanol 330.25
    triethyl phosphate 159.56
    4-methyl-2-pentanol 498.31
    propionitrile 492.09
    vinylene carbonate 255.02
    1,1,2-trichlorotrifluoroethane 463.2
    DMS 209.51
    cumene 129.39
    2-octanol 377.56
    2-hexanone 465.01
    octyl acetate 277.06
    limonene 354.64
    1,2-dimethoxyethane 1029.27
    ethyl orthosilicate 192.05
    tributyl phosphate 178.54
    diacetone alcohol 509.29
    N,N-dimethylaniline 206.49
    acrylonitrile 319.35
    aniline 355.89
    1,3-propanediol 663.14
    bromobenzene 213.74
    dibromomethane 481.56
    1,1,2,2-tetrachloroethane 561.12
    2-methyl-cyclohexyl acetate 326.66
    tetrabutyl urea 213.07
    diisobutyl methanol 356.82
    2-phenylethanol 367.53
    styrene 172.7
    dioctyl adipate 253.72
    dimethyl sulfate 103.74
    ethyl butyrate 419.16
    methyl lactate 186.3
    butyl lactate 280.43
    diethyl carbonate 219.32
    propanediol butyl ether 583.51
    triethyl orthoformate 327.59
    p-tert-butyltoluene 183.73
    methyl 4-tert-butylbenzoate 261.05
    morpholine 1822.69
    tert-butylamine 1329.93
    n-dodecanol 249.61
    dimethoxymethane 534.33
    ethylene carbonate 264.09
    cyrene 270.81
    2-ethoxyethyl acetate 369.04
    2-ethylhexyl acetate 464.6
    1,2,4-trichlorobenzene 210.45
    4-methylpyridine 513.96
    dibutyl ether 655.81
    2,6-dimethyl-4-heptanol 356.82
    DEF 462.66
    dimethyl isosorbide 559.71
    tetrachloroethylene 381.14
    eugenol 260.77
    triacetin 331.09
    span 80 524.81
    1,4-butanediol 251.61
    1,1-dichloroethane 514.18
    2-methyl-1-pentanol 614.64
    methyl formate 151.43
    2-methyl-1-butanol 846.81
    n-decane 153.0
    butyronitrile 715.16
    3,7-dimethyl-1-octanol 459.51
    1-chlorooctane 321.55
    1-chlorotetradecane 123.95
    n-nonane 169.96
    undecane 100.51
    tert-butylcyclohexane 173.0
    cyclooctane 204.16
    cyclopentanol 746.53
    tetrahydropyran 1888.01
    tert-amyl methyl ether 777.51
    2,5,8-trioxanonane 616.5
    1-hexene 937.98
    2-isopropoxyethanol 512.47
    2,2,2-trifluoroethanol 103.29
    methyl butyrate 378.45

    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