5-Octen-1-ol, 6-ethyl-3-methyl-

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  • Identifiers

    CAS number
    26330-64-3

    Molecular formula
    C11H22O

    SMILES
    CCC(=CCC(C)CCO)CC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 80.51%
    Rose 53.91%
    Waxy 50.11%
    Citrus 50.05%
    Green 48.26%
    Fresh 47.77%
    Fruity 42.27%
    Sweet 39.97%
    Lily 39.64%
    Muguet 39.0%

     

    Flavor
    Floral 52.75%
    Waxy 49.0%
    Fresh 46.11%
    Citrus 45.79%
    Green 42.22%
    Rose 33.56%
    Bitter 32.54%
    Oily 32.42%
    Melon 32.39%
    Aldehydic 28.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    10.19 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    227°C

    Flash point

    • 98.44 ˚C est.

  • Synonyms

    • 6-Ethyl-3-methyloct-5-en-1-ol
    • 26330-64-3
    • 5-Octen-1-ol, 6-ethyl-3-methyl-
    • 3-Methyl-6-ethyl-5-octen-1-ol
    • EINECS 247-615-2
    • DTXSID70885341
    • SCHEMBL180322
    • XSFCJNDQFKISFC-UHFFFAOYSA-N
    • DTXCID201024726
    • NS00012431
    • 247-615-2

  • Applications

    5-Octen-1-ol, 6-ethyl-3-methyl- (CAS 26330-64-3) is typically used as an odorant and fragrance intermediate in perfumery and in household and personal care formulations, contributing to green, floral, or woody notes through its alkenyl alcohol structure; it also serves as a chemical intermediate for the synthesis of esters, ethers, and other aroma-related derivatives used in cosmetics and flavor/fragrance applications; in cosmetics and personal care, it may function as a fragrance component in lotions, soaps, and shampoos, subject to formulation constraints; in industrial manufacturing, it can act as a building block for specialty chemicals and polymer-related syntheses; and it may be used as a precursor in coatings, inks, and cleaning product formulations to impart scent, subject to appropriate handling and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6354.9
    methanol 3638.12
    isopropanol 7195.47
    water 0.15
    ethyl acetate 3487.04
    n-propanol 6452.27
    acetone 5249.9
    n-butanol 5967.88
    acetonitrile 3356.24
    DMF 2020.72
    toluene 1343.91
    isobutanol 4331.81
    1,4-dioxane 5716.55
    methyl acetate 2326.73
    THF 8397.15
    2-butanone 4009.75
    n-pentanol 3284.57
    sec-butanol 5525.1
    n-hexane 1935.96
    ethylene glycol 222.82
    NMP 1171.3
    cyclohexane 2612.38
    DMSO 2630.52
    n-butyl acetate 3307.19
    n-octanol 1021.13
    chloroform 4955.89
    n-propyl acetate 2296.4
    acetic acid 1468.8
    dichloromethane 4133.22
    cyclohexanone 4192.96
    propylene glycol 687.5
    isopropyl acetate 1796.09
    DMAc 975.61
    2-ethoxyethanol 2122.33
    isopentanol 4029.84
    n-heptane 1078.05
    ethyl formate 1441.41
    1,2-dichloroethane 2960.4
    n-hexanol 4049.27
    2-methoxyethanol 3220.52
    isobutyl acetate 1084.88
    tetrachloromethane 1287.65
    n-pentyl acetate 1355.58
    transcutol 4658.68
    n-heptanol 1199.23
    ethylbenzene 631.39
    MIBK 1549.2
    2-propoxyethanol 2926.75
    tert-butanol 6966.38
    MTBE 5910.86
    2-butoxyethanol 1452.93
    propionic acid 1589.25
    o-xylene 600.26
    formic acid 193.23
    diethyl ether 7702.7
    m-xylene 753.83
    p-xylene 731.42
    chlorobenzene 1303.91
    dimethyl carbonate 256.72
    n-octane 264.47
    formamide 341.78
    cyclopentanone 3413.47
    2-pentanone 3630.83
    anisole 945.43
    cyclopentyl methyl ether 3624.65
    gamma-butyrolactone 2511.62
    1-methoxy-2-propanol 2582.55
    pyridine 3339.25
    3-pentanone 1964.45
    furfural 1537.41
    n-dodecane 102.1
    diethylene glycol 961.54
    diisopropyl ether 1527.15
    tert-amyl alcohol 4417.2
    acetylacetone 1569.94
    n-hexadecane 121.85
    acetophenone 642.12
    methyl propionate 1567.77
    isopentyl acetate 2272.01
    trichloroethylene 3797.83
    n-nonanol 821.33
    cyclohexanol 3942.84
    benzyl alcohol 796.74
    2-ethylhexanol 1949.72
    isooctanol 919.21
    dipropyl ether 3635.4
    1,2-dichlorobenzene 860.78
    ethyl lactate 436.24
    propylene carbonate 1350.17
    n-methylformamide 1095.36
    2-pentanol 3991.61
    n-pentane 1694.2
    1-propoxy-2-propanol 2636.28
    1-methoxy-2-propyl acetate 1450.48
    2-(2-methoxypropoxy) propanol 728.13
    mesitylene 462.7
    ε-caprolactone 2819.81
    p-cymene 431.81
    epichlorohydrin 3453.7
    1,1,1-trichloroethane 3128.87
    2-aminoethanol 962.47
    morpholine-4-carbaldehyde 1605.36
    sulfolane 2008.01
    2,2,4-trimethylpentane 358.23
    2-methyltetrahydrofuran 7249.32
    n-hexyl acetate 1521.88
    isooctane 344.47
    2-(2-butoxyethoxy)ethanol 1332.64
    sec-butyl acetate 1254.24
    tert-butyl acetate 1619.71
    decalin 432.0
    glycerin 499.79
    diglyme 2385.35
    acrylic acid 753.92
    isopropyl myristate 464.37
    n-butyric acid 3655.05
    acetyl acetate 932.68
    di(2-ethylhexyl) phthalate 311.49
    ethyl propionate 1404.59
    nitromethane 1787.12
    1,2-diethoxyethane 2973.39
    benzonitrile 1262.27
    trioctyl phosphate 284.6
    1-bromopropane 3989.61
    gamma-valerolactone 3289.05
    n-decanol 533.02
    triethyl phosphate 389.3
    4-methyl-2-pentanol 1501.35
    propionitrile 3349.84
    vinylene carbonate 995.53
    1,1,2-trichlorotrifluoroethane 1563.6
    DMS 507.67
    cumene 361.82
    2-octanol 849.31
    2-hexanone 2499.23
    octyl acetate 551.26
    limonene 962.65
    1,2-dimethoxyethane 3830.96
    ethyl orthosilicate 478.5
    tributyl phosphate 364.17
    diacetone alcohol 1491.93
    N,N-dimethylaniline 477.67
    acrylonitrile 2083.11
    aniline 1578.05
    1,3-propanediol 1859.37
    bromobenzene 1366.2
    dibromomethane 3773.06
    1,1,2,2-tetrachloroethane 3215.59
    2-methyl-cyclohexyl acetate 827.49
    tetrabutyl urea 406.93
    diisobutyl methanol 957.48
    2-phenylethanol 931.57
    styrene 842.66
    dioctyl adipate 529.87
    dimethyl sulfate 306.84
    ethyl butyrate 1827.31
    methyl lactate 405.63
    butyl lactate 747.03
    diethyl carbonate 768.38
    propanediol butyl ether 991.54
    triethyl orthoformate 1031.14
    p-tert-butyltoluene 442.56
    methyl 4-tert-butylbenzoate 542.98
    morpholine 7793.21
    tert-butylamine 5597.42
    n-dodecanol 378.03
    dimethoxymethane 1809.48
    ethylene carbonate 1114.28
    cyrene 491.41
    2-ethoxyethyl acetate 1241.53
    2-ethylhexyl acetate 1697.58
    1,2,4-trichlorobenzene 949.29
    4-methylpyridine 3093.18
    dibutyl ether 2147.7
    2,6-dimethyl-4-heptanol 957.48
    DEF 2253.81
    dimethyl isosorbide 1050.15
    tetrachloroethylene 2148.99
    eugenol 485.69
    triacetin 719.25
    span 80 858.09
    1,4-butanediol 593.49
    1,1-dichloroethane 4243.24
    2-methyl-1-pentanol 1991.33
    methyl formate 609.71
    2-methyl-1-butanol 3611.97
    n-decane 246.75
    butyronitrile 4577.62
    3,7-dimethyl-1-octanol 965.06
    1-chlorooctane 770.97
    1-chlorotetradecane 221.31
    n-nonane 302.35
    undecane 147.79
    tert-butylcyclohexane 396.07
    cyclooctane 601.1
    cyclopentanol 3398.75
    tetrahydropyran 11018.52
    tert-amyl methyl ether 2688.68
    2,5,8-trioxanonane 1197.81
    1-hexene 4070.46
    2-isopropoxyethanol 1438.2
    2,2,2-trifluoroethanol 238.04
    methyl butyrate 2135.61

    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