(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol

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  • Identifiers

    CAS number
    58001-88-0

    Molecular formula
    C14H26O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.07%
    Waxy 61.15%
    Rose 45.88%
    Citrus 44.0%
    Green 42.18%
    Fresh 41.97%
    Muguet 39.31%
    Oily 37.95%
    Fruity 37.95%
    Aldehydic 37.11%

     

    Flavor
    Floral 82.83%
    Citrus 60.71%
    Waxy 58.96%
    Sweet 54.13%
    Rose 53.04%
    Fresh 46.32%
    Flower 42.27%
    Green 39.8%
    Orange 37.84%
    Geranium 36.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.54 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 121.58 ˚C est.

  • Synonyms

    • DTXSID601269651
    • (5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
    • RefChem:404233
    • DTXCID00909741
    • (E)-2,6,10-Trimethylundeca-5,9-dienol
    • (5E)-2,6,10-trimethylundeca-5,9-dien-1-ol
    • 58001-88-0
    • EINECS 261-070-8
    • (E)-dehydro-apofarnesol
    • (E)-dihydro-apofarnesol
    • (E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
    • SCHEMBL2425211
    • DB-215123
    • NS00013312
    • 5,9-Undecadien-1-ol, 2,6,10-trimethyl-, (E)-
    • 58001-88-0

  • Applications

    Chemical name: (5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol; CAS number: 58001-88-0 is a compound commonly viewed as a fragrance ingredient and odorant, with potential to act as a fixative in perfumery. Real-world applications include perfume/fragrance use (odorant and fixative), cosmetics/personal care as a fragrance component, and household products such as air fresheners and cleaners to impart and stabilize scents. In industrial manufacturing, it can serve as an intermediate building block for the synthesis of other terpenoid aroma compounds. It may be used in aroma-chemical synthesis and formulation development, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2206.63
    methanol 1120.8
    isopropanol 1645.58
    water 0.12
    ethyl acetate 1817.62
    n-propanol 1658.22
    acetone 801.89
    n-butanol 2028.12
    acetonitrile 649.36
    DMF 266.62
    toluene 649.72
    isobutanol 954.71
    1,4-dioxane 2352.19
    methyl acetate 786.24
    THF 2753.87
    2-butanone 1162.29
    n-pentanol 1359.88
    sec-butanol 1557.44
    n-hexane 657.67
    ethylene glycol 53.8
    NMP 201.29
    cyclohexane 703.35
    DMSO 479.1
    n-butyl acetate 1712.98
    n-octanol 474.74
    chloroform 1690.06
    n-propyl acetate 1075.13
    acetic acid 446.53
    dichloromethane 1349.81
    cyclohexanone 1015.78
    propylene glycol 209.38
    isopropyl acetate 1051.4
    DMAc 346.91
    2-ethoxyethanol 1206.35
    isopentanol 1523.06
    n-heptane 456.27
    ethyl formate 484.81
    1,2-dichloroethane 899.79
    n-hexanol 1719.95
    2-methoxyethanol 1398.03
    isobutyl acetate 610.2
    tetrachloromethane 333.88
    n-pentyl acetate 698.69
    transcutol 3571.46
    n-heptanol 598.79
    ethylbenzene 369.97
    MIBK 749.61
    2-propoxyethanol 1488.99
    tert-butanol 1975.24
    MTBE 2578.66
    2-butoxyethanol 856.74
    propionic acid 362.78
    o-xylene 306.38
    formic acid 76.54
    diethyl ether 3358.71
    m-xylene 413.94
    p-xylene 379.75
    chlorobenzene 410.62
    dimethyl carbonate 87.73
    n-octane 105.11
    formamide 117.66
    cyclopentanone 668.43
    2-pentanone 1255.47
    anisole 608.98
    cyclopentyl methyl ether 1238.32
    gamma-butyrolactone 520.72
    1-methoxy-2-propanol 1128.7
    pyridine 1059.72
    3-pentanone 669.87
    furfural 499.3
    n-dodecane 44.75
    diethylene glycol 464.32
    diisopropyl ether 849.06
    tert-amyl alcohol 1559.28
    acetylacetone 627.46
    n-hexadecane 51.82
    acetophenone 366.88
    methyl propionate 579.95
    isopentyl acetate 1311.07
    trichloroethylene 1164.12
    n-nonanol 424.01
    cyclohexanol 1006.18
    benzyl alcohol 394.76
    2-ethylhexanol 1090.62
    isooctanol 477.39
    dipropyl ether 2050.35
    1,2-dichlorobenzene 321.92
    ethyl lactate 226.94
    propylene carbonate 373.69
    n-methylformamide 196.93
    2-pentanol 1450.03
    n-pentane 549.74
    1-propoxy-2-propanol 1387.91
    1-methoxy-2-propyl acetate 989.01
    2-(2-methoxypropoxy) propanol 580.06
    mesitylene 261.98
    ε-caprolactone 934.84
    p-cymene 278.51
    epichlorohydrin 1143.83
    1,1,1-trichloroethane 895.04
    2-aminoethanol 283.05
    morpholine-4-carbaldehyde 587.37
    sulfolane 364.65
    2,2,4-trimethylpentane 180.6
    2-methyltetrahydrofuran 2326.42
    n-hexyl acetate 804.65
    isooctane 167.48
    2-(2-butoxyethoxy)ethanol 1014.01
    sec-butyl acetate 804.47
    tert-butyl acetate 988.32
    decalin 200.76
    glycerin 186.61
    diglyme 1685.13
    acrylic acid 168.45
    isopropyl myristate 277.38
    n-butyric acid 1165.53
    acetyl acetate 527.05
    di(2-ethylhexyl) phthalate 201.95
    ethyl propionate 737.56
    nitromethane 400.37
    1,2-diethoxyethane 2104.86
    benzonitrile 452.08
    trioctyl phosphate 157.01
    1-bromopropane 1309.05
    gamma-valerolactone 978.93
    n-decanol 276.31
    triethyl phosphate 268.86
    4-methyl-2-pentanol 709.46
    propionitrile 746.78
    vinylene carbonate 275.84
    1,1,2-trichlorotrifluoroethane 464.11
    DMS 268.83
    cumene 234.59
    2-octanol 373.0
    2-hexanone 1091.73
    octyl acetate 320.88
    limonene 510.5
    1,2-dimethoxyethane 2121.15
    ethyl orthosilicate 353.15
    tributyl phosphate 206.13
    diacetone alcohol 786.24
    N,N-dimethylaniline 330.59
    acrylonitrile 431.09
    aniline 570.38
    1,3-propanediol 677.7
    bromobenzene 456.79
    dibromomethane 1192.87
    1,1,2,2-tetrachloroethane 1032.68
    2-methyl-cyclohexyl acetate 594.06
    tetrabutyl urea 220.83
    diisobutyl methanol 554.35
    2-phenylethanol 525.65
    styrene 425.08
    dioctyl adipate 340.27
    dimethyl sulfate 85.64
    ethyl butyrate 1256.62
    methyl lactate 155.72
    butyl lactate 365.47
    diethyl carbonate 544.48
    propanediol butyl ether 506.14
    triethyl orthoformate 776.67
    p-tert-butyltoluene 287.28
    methyl 4-tert-butylbenzoate 353.4
    morpholine 2983.11
    tert-butylamine 1631.06
    n-dodecanol 197.26
    dimethoxymethane 604.42
    ethylene carbonate 312.5
    cyrene 295.35
    2-ethoxyethyl acetate 813.0
    2-ethylhexyl acetate 1019.18
    1,2,4-trichlorobenzene 354.35
    4-methylpyridine 1004.55
    dibutyl ether 1117.3
    2,6-dimethyl-4-heptanol 554.35
    DEF 779.95
    dimethyl isosorbide 755.91
    tetrachloroethylene 645.49
    eugenol 321.98
    triacetin 465.54
    span 80 541.17
    1,4-butanediol 220.18
    1,1-dichloroethane 1065.63
    2-methyl-1-pentanol 1047.68
    methyl formate 105.54
    2-methyl-1-butanol 1221.82
    n-decane 107.49
    butyronitrile 1384.4
    3,7-dimethyl-1-octanol 528.79
    1-chlorooctane 348.63
    1-chlorotetradecane 101.93
    n-nonane 119.63
    undecane 64.62
    tert-butylcyclohexane 199.92
    cyclooctane 223.23
    cyclopentanol 619.83
    tetrahydropyran 3491.96
    tert-amyl methyl ether 1430.83
    2,5,8-trioxanonane 908.24
    1-hexene 1562.13
    2-isopropoxyethanol 835.89
    2,2,2-trifluoroethanol 63.2
    methyl butyrate 962.72

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.21 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.4 %
Category 2
Products applied to the axillae
 0.062 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.4 %
Category 3
Products applied to the face/body using fingertips
 1.2 % Category 8
Products with significant anogenital exposure
 0.12 %
Category 4
Products related to fine fragrance
 1.2 % Category 9
Products with body and hand exposure, primarily rinse off
 2.3 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.29 % Category 10A
Household care products with mostly hand contact
 8.1 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.29 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 8.1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.29 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 4.5 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.29 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 4.5 %
Category 6
Products with oral and lip exposure
 0.68 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction