2-Methyloctan-3-ol

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  • Identifiers

    CAS number
    26533-34-6

    Molecular formula
    C9H20O

    SMILES
    CCCCCC(C(C)C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 67.67%
    Green 64.09%
    Herbal 60.0%
    Floral 54.47%
    Sweet 46.16%
    Spicy 45.73%
    Earthy 43.2%
    Musty 42.51%
    Fermented 41.28%
    Fruity 41.01%

     

    Flavor
    Herbal 41.29%
    Green 38.44%
    Floral 38.33%
    Fresh 36.48%
    Citrus 35.62%
    Oily 35.2%
    Fruity 33.57%
    Mushroom 31.27%
    Spicy 30.8%
    Herb 29.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.41 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    185°C

    Flash point

    • 72.03 ˚C est.

  • Synonyms

    • 2-Methyl-3-octanol
    • 2-Methyloctan-3-ol
    • 26533-34-6
    • 3-Octanol, 2-methyl-
    • EINECS 247-762-2
    • DTXSID801316064
    • NSC 139738
    • RefChem:476112
    • DTXCID901745937
    • 247-762-2
    • MFCD00021946
    • NSC139738
    • Methyloctanol; 98%
    • SCHEMBL887134
    • SCHEMBL3946030
    • SCHEMBL5048400
    • AKOS009158662
    • NSC-139738
    • SB85105
    • SY053499
    • CS-0450523
    • M0535
    • NS00050493
    • D91351
    • InChI=1/C9H20O/c1-4-5-6-7-9(10)8(2)3/h8-10H,4-7H2,1-3H
    • 26533-34-6

  • Applications

    2-Methyloctan-3-ol (CAS 26533-34-6) is commonly used as a fragrance ingredient (odorant) and can function as a solvent or processing aid in fragrance chemistry; in cosmetics and personal care, it may serve as a solvent or fragrance component in formulations, and can be involved in household cleaning formulations in similar roles. In industrial manufacturing, coatings and inks, it is used as a solvent or processing aid to dissolve and disperse formulation components. In polymers and plastics processing, it may act as an intermediate or processing aid to tune solubility and processing characteristics. Additional applications include serving as a building block in fragrance synthesis and related formulation work, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5048.76
    methanol 3480.69
    isopropanol 5708.9
    water 0.49
    ethyl acetate 2899.83
    n-propanol 4638.85
    acetone 3292.88
    n-butanol 5403.05
    acetonitrile 2418.79
    DMF 1465.89
    toluene 895.9
    isobutanol 3836.95
    1,4-dioxane 4196.98
    methyl acetate 1898.12
    THF 6619.09
    2-butanone 2817.6
    n-pentanol 3277.8
    sec-butanol 4756.81
    n-hexane 2700.9
    ethylene glycol 264.89
    NMP 1034.27
    cyclohexane 2257.28
    DMSO 1578.35
    n-butyl acetate 5454.81
    n-octanol 1657.18
    chloroform 4796.69
    n-propyl acetate 2449.69
    acetic acid 1729.41
    dichloromethane 3337.31
    cyclohexanone 3615.55
    propylene glycol 662.74
    isopropyl acetate 2048.96
    DMAc 968.29
    2-ethoxyethanol 2071.57
    isopentanol 4670.74
    n-heptane 2091.8
    ethyl formate 1578.93
    1,2-dichloroethane 2209.27
    n-hexanol 5541.28
    2-methoxyethanol 2866.36
    isobutyl acetate 1534.62
    tetrachloromethane 1269.62
    n-pentyl acetate 2013.79
    transcutol 5037.16
    n-heptanol 2082.2
    ethylbenzene 622.54
    MIBK 1776.4
    2-propoxyethanol 4012.8
    tert-butanol 7131.42
    MTBE 5790.52
    2-butoxyethanol 2214.45
    propionic acid 1635.82
    o-xylene 532.99
    formic acid 269.76
    diethyl ether 5064.24
    m-xylene 613.04
    p-xylene 883.34
    chlorobenzene 1103.6
    dimethyl carbonate 231.19
    n-octane 542.98
    formamide 335.1
    cyclopentanone 2872.38
    2-pentanone 2953.48
    anisole 962.36
    cyclopentyl methyl ether 2761.24
    gamma-butyrolactone 2345.74
    1-methoxy-2-propanol 2552.17
    pyridine 2597.6
    3-pentanone 1409.77
    furfural 1659.14
    n-dodecane 236.49
    diethylene glycol 1342.85
    diisopropyl ether 1785.05
    tert-amyl alcohol 4872.77
    acetylacetone 1466.41
    n-hexadecane 266.97
    acetophenone 722.73
    methyl propionate 1234.32
    isopentyl acetate 4280.03
    trichloroethylene 3172.26
    n-nonanol 1376.31
    cyclohexanol 3314.5
    benzyl alcohol 808.26
    2-ethylhexanol 3878.73
    isooctanol 1702.21
    dipropyl ether 4973.51
    1,2-dichlorobenzene 877.45
    ethyl lactate 564.14
    propylene carbonate 1533.45
    n-methylformamide 924.29
    2-pentanol 3863.12
    n-pentane 1801.76
    1-propoxy-2-propanol 3914.02
    1-methoxy-2-propyl acetate 1905.75
    2-(2-methoxypropoxy) propanol 1047.47
    mesitylene 459.13
    ε-caprolactone 2860.66
    p-cymene 715.58
    epichlorohydrin 2932.8
    1,1,1-trichloroethane 2669.88
    2-aminoethanol 965.73
    morpholine-4-carbaldehyde 1601.0
    sulfolane 1717.75
    2,2,4-trimethylpentane 583.47
    2-methyltetrahydrofuran 5568.54
    n-hexyl acetate 2210.54
    isooctane 587.21
    2-(2-butoxyethoxy)ethanol 1751.38
    sec-butyl acetate 1678.89
    tert-butyl acetate 2024.21
    decalin 619.57
    glycerin 603.47
    diglyme 3026.02
    acrylic acid 839.75
    isopropyl myristate 739.77
    n-butyric acid 4034.39
    acetyl acetate 1008.96
    di(2-ethylhexyl) phthalate 480.17
    ethyl propionate 1489.74
    nitromethane 1773.3
    1,2-diethoxyethane 3531.63
    benzonitrile 1366.86
    trioctyl phosphate 465.47
    1-bromopropane 3114.67
    gamma-valerolactone 3205.46
    n-decanol 927.47
    triethyl phosphate 602.86
    4-methyl-2-pentanol 2104.69
    propionitrile 2824.48
    vinylene carbonate 1077.32
    1,1,2-trichlorotrifluoroethane 1544.97
    DMS 602.59
    cumene 483.25
    2-octanol 1412.59
    2-hexanone 2866.5
    octyl acetate 841.36
    limonene 1453.22
    1,2-dimethoxyethane 4152.73
    ethyl orthosilicate 758.8
    tributyl phosphate 600.86
    diacetone alcohol 1645.44
    N,N-dimethylaniline 602.27
    acrylonitrile 1824.12
    aniline 1164.63
    1,3-propanediol 1877.36
    bromobenzene 1142.1
    dibromomethane 3057.62
    1,1,2,2-tetrachloroethane 2835.68
    2-methyl-cyclohexyl acetate 1411.61
    tetrabutyl urea 634.65
    diisobutyl methanol 1772.33
    2-phenylethanol 1241.88
    styrene 754.99
    dioctyl adipate 812.01
    dimethyl sulfate 277.18
    ethyl butyrate 2876.77
    methyl lactate 436.82
    butyl lactate 1157.84
    diethyl carbonate 1242.67
    propanediol butyl ether 1444.02
    triethyl orthoformate 1840.14
    p-tert-butyltoluene 703.19
    methyl 4-tert-butylbenzoate 728.34
    morpholine 5163.51
    tert-butylamine 6210.99
    n-dodecanol 673.39
    dimethoxymethane 1300.89
    ethylene carbonate 1238.91
    cyrene 599.31
    2-ethoxyethyl acetate 1602.85
    2-ethylhexyl acetate 3203.86
    1,2,4-trichlorobenzene 891.53
    4-methylpyridine 2505.94
    dibutyl ether 3017.13
    2,6-dimethyl-4-heptanol 1772.33
    DEF 1982.57
    dimethyl isosorbide 1326.42
    tetrachloroethylene 2058.58
    eugenol 706.7
    triacetin 913.24
    span 80 1241.0
    1,4-butanediol 688.37
    1,1-dichloroethane 3390.8
    2-methyl-1-pentanol 2686.28
    methyl formate 568.47
    2-methyl-1-butanol 3682.19
    n-decane 497.77
    butyronitrile 4538.31
    3,7-dimethyl-1-octanol 1708.4
    1-chlorooctane 1159.72
    1-chlorotetradecane 387.44
    n-nonane 570.51
    undecane 326.43
    tert-butylcyclohexane 672.24
    cyclooctane 624.36
    cyclopentanol 2845.61
    tetrahydropyran 6793.02
    tert-amyl methyl ether 2938.24
    2,5,8-trioxanonane 1489.0
    1-hexene 4687.35
    2-isopropoxyethanol 1758.05
    2,2,2-trifluoroethanol 320.59
    methyl butyrate 2414.09

    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