(3Z)-3,7-Dimethyl-3,6-octadien-1-ol

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  • Identifiers

    CAS number
    36584-51-7

    Molecular formula
    C10H18O

    SMILES
    CC(=CC/C=C(/C)\CCO)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1254.0
    • Carbowax: 1797.0

  • Odor profile

    Fragrance
    Floral 82.33%
    Rose 66.76%
    Citrus 61.61%
    Green 59.39%
    Sweet 59.33%
    Waxy 52.39%
    Fresh 52.27%
    Lemon 47.64%
    Fruity 43.42%
    Herbal 40.46%

     

    Flavor
    Green 69.95%
    Sweet 69.92%
    Floral 67.78%
    Citrus 61.99%
    Waxy 52.24%
    Rose 51.59%
    Fruity 47.05%
    Fresh 44.43%
    Bitter 41.71%
    Herbal 41.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.01 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    230°C

    Flash point

    • 96.76 ˚C est.

  • Synonyms

    • Isogeraniol
    • (3Z)-3,7-dimethylocta-3,6-dien-1-ol
    • (Z)-iso-Geraniol
    • 5944-20-7
    • (3Z)-3,7-Dimethyl-3,6-octadien-1-ol
    • cis-Isogeraniol
    • 3,7-Dimethyl-3Z,6-octadien-1-ol
    • 3,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
    • (3Z)-isogeraniol
    • SCHEMBL1300875
    • CHEBI:144706
    • DTHIOPUFUOMHAY-POHAHGRESA-N
    • DTXSID201017517
    • LMFA05000127
    • NS00114040
    • Q67879956

  • Applications

    (3Z)-3,7-Dimethyl-3,6-octadien-1-ol (CAS 36584-51-7) is mainly used as a fragrance ingredient in perfumery, cosmetics, and personal care products, contributing a light fruity note to scents and formulations. It is also evaluated for use as a flavor ingredient where permitted, and can function as an intermediate in the synthesis of other aroma compounds for the fragrance industry. In household cleaning and other consumer products, it serves as an odorant/fragrance component to impart fresh notes, and in industrial manufacturing it may be used as a chemical intermediate for preparing esters and related aroma chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1958.37
    methanol 1307.36
    isopropanol 1626.89
    water 1.81
    ethyl acetate 578.4
    n-propanol 1424.29
    acetone 665.53
    n-butanol 1500.07
    acetonitrile 571.25
    DMF 467.34
    toluene 232.3
    isobutanol 879.52
    1,4-dioxane 1607.7
    methyl acetate 435.27
    THF 1719.58
    2-butanone 572.75
    n-pentanol 819.51
    sec-butanol 1171.04
    n-hexane 360.47
    ethylene glycol 196.3
    NMP 303.24
    cyclohexane 454.36
    DMSO 503.08
    n-butyl acetate 525.16
    n-octanol 367.91
    chloroform 976.48
    n-propyl acetate 319.87
    acetic acid 656.43
    dichloromethane 595.88
    cyclohexanone 628.15
    propylene glycol 502.2
    isopropyl acetate 299.28
    DMAc 349.22
    2-ethoxyethanol 752.26
    isopentanol 947.49
    n-heptane 342.37
    ethyl formate 300.34
    1,2-dichloroethane 375.02
    n-hexanol 1250.88
    2-methoxyethanol 1230.49
    isobutyl acetate 205.23
    tetrachloromethane 238.24
    n-pentyl acetate 246.3
    transcutol 1602.25
    n-heptanol 433.82
    ethylbenzene 126.0
    MIBK 268.51
    2-propoxyethanol 1077.15
    tert-butanol 1722.55
    MTBE 937.82
    2-butoxyethanol 538.51
    propionic acid 486.33
    o-xylene 140.82
    formic acid 158.94
    diethyl ether 1182.15
    m-xylene 167.53
    p-xylene 158.08
    chlorobenzene 206.27
    dimethyl carbonate 78.27
    n-octane 77.7
    formamide 186.25
    cyclopentanone 529.14
    2-pentanone 517.4
    anisole 248.71
    cyclopentyl methyl ether 677.44
    gamma-butyrolactone 467.64
    1-methoxy-2-propanol 919.88
    pyridine 598.52
    3-pentanone 306.93
    furfural 402.39
    n-dodecane 39.17
    diethylene glycol 540.7
    diisopropyl ether 260.34
    tert-amyl alcohol 1120.59
    acetylacetone 290.78
    n-hexadecane 42.73
    acetophenone 169.95
    methyl propionate 304.67
    isopentyl acetate 393.37
    trichloroethylene 590.85
    n-nonanol 311.71
    cyclohexanol 865.67
    benzyl alcohol 219.96
    2-ethylhexanol 559.53
    isooctanol 296.35
    dipropyl ether 793.8
    1,2-dichlorobenzene 157.96
    ethyl lactate 157.83
    propylene carbonate 292.21
    n-methylformamide 273.8
    2-pentanol 919.66
    n-pentane 400.53
    1-propoxy-2-propanol 852.67
    1-methoxy-2-propyl acetate 364.69
    2-(2-methoxypropoxy) propanol 343.95
    mesitylene 105.37
    ε-caprolactone 517.14
    p-cymene 126.28
    epichlorohydrin 609.33
    1,1,1-trichloroethane 458.09
    2-aminoethanol 561.7
    morpholine-4-carbaldehyde 555.29
    sulfolane 383.7
    2,2,4-trimethylpentane 98.8
    2-methyltetrahydrofuran 1217.06
    n-hexyl acetate 364.55
    isooctane 84.38
    2-(2-butoxyethoxy)ethanol 576.94
    sec-butyl acetate 222.68
    tert-butyl acetate 302.62
    decalin 102.13
    glycerin 412.02
    diglyme 893.93
    acrylic acid 288.61
    isopropyl myristate 141.09
    n-butyric acid 838.44
    acetyl acetate 215.06
    di(2-ethylhexyl) phthalate 124.75
    ethyl propionate 247.36
    nitromethane 459.58
    1,2-diethoxyethane 616.7
    benzonitrile 248.49
    trioctyl phosphate 99.56
    1-bromopropane 489.07
    gamma-valerolactone 742.74
    n-decanol 221.26
    triethyl phosphate 131.66
    4-methyl-2-pentanol 388.84
    propionitrile 546.02
    vinylene carbonate 238.88
    1,1,2-trichlorotrifluoroethane 462.81
    DMS 152.61
    cumene 98.05
    2-octanol 256.79
    2-hexanone 374.53
    octyl acetate 185.61
    limonene 245.41
    1,2-dimethoxyethane 944.49
    ethyl orthosilicate 156.29
    tributyl phosphate 119.43
    diacetone alcohol 397.13
    N,N-dimethylaniline 163.33
    acrylonitrile 366.5
    aniline 354.93
    1,3-propanediol 843.94
    bromobenzene 192.03
    dibromomethane 522.28
    1,1,2,2-tetrachloroethane 582.22
    2-methyl-cyclohexyl acetate 249.44
    tetrabutyl urea 139.71
    diisobutyl methanol 273.31
    2-phenylethanol 281.25
    styrene 152.15
    dioctyl adipate 183.41
    dimethyl sulfate 85.36
    ethyl butyrate 358.28
    methyl lactate 170.32
    butyl lactate 210.57
    diethyl carbonate 198.97
    propanediol butyl ether 444.55
    triethyl orthoformate 281.46
    p-tert-butyltoluene 136.21
    methyl 4-tert-butylbenzoate 196.33
    morpholine 1999.71
    tert-butylamine 1250.07
    n-dodecanol 165.84
    dimethoxymethane 445.27
    ethylene carbonate 246.72
    cyrene 212.37
    2-ethoxyethyl acetate 279.93
    2-ethylhexyl acetate 320.9
    1,2,4-trichlorobenzene 187.66
    4-methylpyridine 483.18
    dibutyl ether 439.89
    2,6-dimethyl-4-heptanol 273.31
    DEF 401.71
    dimethyl isosorbide 417.93
    tetrachloroethylene 388.31
    eugenol 204.28
    triacetin 242.37
    span 80 406.98
    1,4-butanediol 279.77
    1,1-dichloroethane 522.28
    2-methyl-1-pentanol 496.03
    methyl formate 158.25
    2-methyl-1-butanol 802.67
    n-decane 80.79
    butyronitrile 758.98
    3,7-dimethyl-1-octanol 302.68
    1-chlorooctane 195.51
    1-chlorotetradecane 71.44
    n-nonane 91.37
    undecane 52.01
    tert-butylcyclohexane 99.43
    cyclooctane 133.78
    cyclopentanol 715.74
    tetrahydropyran 1931.61
    tert-amyl methyl ether 563.83
    2,5,8-trioxanonane 519.23
    1-hexene 684.46
    2-isopropoxyethanol 464.68
    2,2,2-trifluoroethanol 122.54
    methyl butyrate 328.92

    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
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 0.1%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.04%
Ho leaf (China) 4 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.19%
Perilla frutescens (China) 1 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.43%
Cinnamomum camphora (China) 1a Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.17%
Rosa odorata (China) Rosa odorata Sweet, fam. Rosaceae 0.1%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.1%