3-Pentanol, 2,2,4-trimethyl-1-[(2-methyl-2-propen-1-yl)oxy]-

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  • Identifiers

    CAS number
    526218-21-3

    Molecular formula
    C12H24O2

    SMILES
    CC(C)C(C(C)(C)COCC(=C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.25%
    Camphoreous 39.22%
    Floral 38.37%
    Herbal 37.28%
    Green 36.53%
    Mint 35.79%
    Fresh 29.71%
    Sweet 29.15%
    Citrus 27.86%
    Earthy 27.32%

     

    Flavor
    Green 46.39%
    Fruity 38.38%
    Herbal 34.79%
    Tropical 29.15%
    Sweet 27.73%
    Earthy 26.75%
    Woody 22.22%
    Herb 22.0%
    Oily 21.76%
    Grape skin 21.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.31 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 89.56 ˚C est.

  • Synonyms

    • 3-Pentanol, 2,2,4-trimethyl-1-((2-methyl-2-propenyl)oxy)-
    • DTXSID20889192
    • 3-Pentanol, 2,2,4-trimethyl-1-((2-methyl-2-propen-1-yl)oxy)-
    • 1-(2-methyl-2-propenyloxy)-2,2,4-trimethylpentan-3-ol
    • 3-Pentanol, 2,2,4-trimethyl-1-[(2-methyl-2-propenyl)oxy]-
    • 3-Pentanol, 2,2,4-trimethyl-1-[(2-methyl-2-propen-1-yl)oxy]-
    • RefChem:504726
    • DTXCID201028459
    • 526218-21-3
    • SCHEMBL4405273
    • 2,2,4-TRIMETHYL-1-[(2-METHYLPROP-2-EN-1-YL)OXY]PENTAN-3-OL
    • 526218-21-3

  • Applications

    3-Pentanol, 2,2,4-trimethyl-1-[(2-methyl-2-propen-1-yl)oxy]- (CAS 526218-21-3) is used primarily in fragrance-related applications where it serves as a fragrance ingredient and can act as a solvent or co-solvent for aroma compounds in formulations; it may also function as a stabilizer or fixative to help preserve fragrance notes. The compound can be encountered in cosmetics/personal care products as a fragrance component, and in household products such as air fresheners and cleaners as a scent additive. In industrial manufacturing, it often serves as an intermediate for the synthesis of terpenoid derivatives and related specialty chemicals, and it may be evaluated for use as a processing aid in certain polymer/plastics formulations where compatible. Formulation use is subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2255.64
    methanol 2901.41
    isopropanol 1246.91
    water 7.44
    ethyl acetate 726.29
    n-propanol 1407.95
    acetone 564.69
    n-butanol 1631.61
    acetonitrile 550.49
    DMF 671.68
    toluene 416.4
    isobutanol 1004.16
    1,4-dioxane 1442.35
    methyl acetate 573.65
    THF 1897.66
    2-butanone 654.99
    n-pentanol 1028.43
    sec-butanol 1194.04
    n-hexane 283.64
    ethylene glycol 291.41
    NMP 579.9
    cyclohexane 350.84
    DMSO 513.43
    n-butyl acetate 1092.23
    n-octanol 644.57
    chloroform 2006.38
    n-propyl acetate 613.39
    acetic acid 1527.51
    dichloromethane 1315.23
    cyclohexanone 915.66
    propylene glycol 486.51
    isopropyl acetate 563.62
    DMAc 635.75
    2-ethoxyethanol 1131.35
    isopentanol 1265.3
    n-heptane 324.48
    ethyl formate 732.99
    1,2-dichloroethane 678.77
    n-hexanol 1526.82
    2-methoxyethanol 1703.69
    isobutyl acetate 481.77
    tetrachloromethane 479.54
    n-pentyl acetate 576.54
    transcutol 2572.59
    n-heptanol 770.24
    ethylbenzene 314.44
    MIBK 504.81
    2-propoxyethanol 1472.36
    tert-butanol 1384.73
    MTBE 1221.0
    2-butoxyethanol 1039.7
    propionic acid 693.49
    o-xylene 301.76
    formic acid 713.21
    diethyl ether 1036.58
    m-xylene 334.35
    p-xylene 422.79
    chlorobenzene 459.39
    dimethyl carbonate 165.57
    n-octane 97.68
    formamide 530.78
    cyclopentanone 697.43
    2-pentanone 620.73
    anisole 529.3
    cyclopentyl methyl ether 846.84
    gamma-butyrolactone 745.87
    1-methoxy-2-propanol 1025.1
    pyridine 791.54
    3-pentanone 375.3
    furfural 862.89
    n-dodecane 57.32
    diethylene glycol 821.81
    diisopropyl ether 403.8
    tert-amyl alcohol 1342.57
    acetylacetone 464.62
    n-hexadecane 61.79
    acetophenone 436.71
    methyl propionate 394.62
    isopentyl acetate 1011.3
    trichloroethylene 1347.21
    n-nonanol 540.44
    cyclohexanol 943.5
    benzyl alcohol 500.51
    2-ethylhexanol 988.51
    isooctanol 637.22
    dipropyl ether 855.93
    1,2-dichlorobenzene 441.98
    ethyl lactate 324.91
    propylene carbonate 643.89
    n-methylformamide 549.63
    2-pentanol 994.02
    n-pentane 282.43
    1-propoxy-2-propanol 1165.56
    1-methoxy-2-propyl acetate 725.26
    2-(2-methoxypropoxy) propanol 636.69
    mesitylene 237.4
    ε-caprolactone 906.24
    p-cymene 337.17
    epichlorohydrin 1043.0
    1,1,1-trichloroethane 853.03
    2-aminoethanol 755.6
    morpholine-4-carbaldehyde 1029.19
    sulfolane 611.0
    2,2,4-trimethylpentane 172.62
    2-methyltetrahydrofuran 1315.34
    n-hexyl acetate 763.27
    isooctane 143.0
    2-(2-butoxyethoxy)ethanol 998.55
    sec-butyl acetate 486.68
    tert-butyl acetate 666.91
    decalin 164.77
    glycerin 547.13
    diglyme 1605.48
    acrylic acid 504.13
    isopropyl myristate 293.52
    n-butyric acid 1272.5
    acetyl acetate 465.54
    di(2-ethylhexyl) phthalate 294.32
    ethyl propionate 430.28
    nitromethane 969.33
    1,2-diethoxyethane 1003.17
    benzonitrile 555.66
    trioctyl phosphate 240.9
    1-bromopropane 723.33
    gamma-valerolactone 1211.32
    n-decanol 371.67
    triethyl phosphate 294.68
    4-methyl-2-pentanol 646.35
    propionitrile 595.11
    vinylene carbonate 602.82
    1,1,2-trichlorotrifluoroethane 910.63
    DMS 313.99
    cumene 252.52
    2-octanol 472.33
    2-hexanone 567.48
    octyl acetate 384.84
    limonene 502.09
    1,2-dimethoxyethane 1484.28
    ethyl orthosilicate 366.8
    tributyl phosphate 276.19
    diacetone alcohol 719.62
    N,N-dimethylaniline 366.17
    acrylonitrile 495.92
    aniline 473.92
    1,3-propanediol 1188.37
    bromobenzene 461.55
    dibromomethane 1018.66
    1,1,2,2-tetrachloroethane 1169.93
    2-methyl-cyclohexyl acetate 615.37
    tetrabutyl urea 282.99
    diisobutyl methanol 527.91
    2-phenylethanol 629.83
    styrene 350.66
    dioctyl adipate 382.48
    dimethyl sulfate 185.79
    ethyl butyrate 722.69
    methyl lactate 273.51
    butyl lactate 476.19
    diethyl carbonate 461.84
    propanediol butyl ether 749.46
    triethyl orthoformate 614.74
    p-tert-butyltoluene 335.51
    methyl 4-tert-butylbenzoate 455.28
    morpholine 1723.2
    tert-butylamine 1090.57
    n-dodecanol 272.95
    dimethoxymethane 630.73
    ethylene carbonate 542.11
    cyrene 465.17
    2-ethoxyethyl acetate 605.88
    2-ethylhexyl acetate 803.42
    1,2,4-trichlorobenzene 514.85
    4-methylpyridine 798.83
    dibutyl ether 617.99
    2,6-dimethyl-4-heptanol 527.91
    DEF 644.1
    dimethyl isosorbide 851.87
    tetrachloroethylene 852.31
    eugenol 472.3
    triacetin 494.63
    span 80 638.83
    1,4-butanediol 484.47
    1,1-dichloroethane 809.3
    2-methyl-1-pentanol 930.73
    methyl formate 429.26
    2-methyl-1-butanol 1161.12
    n-decane 112.96
    butyronitrile 934.44
    3,7-dimethyl-1-octanol 662.67
    1-chlorooctane 363.67
    1-chlorotetradecane 127.65
    n-nonane 116.55
    undecane 74.85
    tert-butylcyclohexane 198.42
    cyclooctane 138.46
    cyclopentanol 759.4
    tetrahydropyran 1509.84
    tert-amyl methyl ether 904.96
    2,5,8-trioxanonane 926.19
    1-hexene 653.04
    2-isopropoxyethanol 793.14
    2,2,2-trifluoroethanol 403.9
    methyl butyrate 645.42

    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