2-Octanol, 2-methyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    628-44-4

    Molecular formula
    C9H20O

    SMILES
    CCCCCCC(C)(C)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 80.47%
    Citrus 70.31%
    Fresh 62.29%
    Rose 53.13%
    Sweet 52.55%
    Herbal 51.33%
    Lemon 49.72%
    Fruity 44.38%
    Clean 41.62%
    Woody 40.37%

     

    Flavor
    Floral 59.15%
    Green 52.24%
    Waxy 41.47%
    Lily 39.29%
    Oily 39.06%
    Woody 37.05%
    Earthy 33.46%
    Citrus 33.37%
    Mild 31.76%
    Sweet 31.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.23 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    186°C

    Flash point

    • 70.73 ˚C est.

  • Synonyms

    • 2-Methyl-2-octanol
    • 628-44-4
    • 2-Octanol, 2-methyl-
    • 1,1-Dimethylheptyl alcohol
    • I38JIM8KS0
    • EINECS 211-044-7
    • NSC 21984
    • NSC-21984
    • UNII-I38JIM8KS0
    • N-HEXYLDIMETHYLCARBINOL
    • AI3-24901
    • DTXSID5060855
    • 2Methyloctan2ol
    • 2Octanol, 2methyl
    • RefChem:88853
    • DTXCID1043548
    • 211-044-7
    • KBCNUEXDHWDIFX-UHFFFAOYSA-N
    • 2-Methyloctan-2-ol
    • MFCD00021849
    • 2-Methyl-octan-2-ol
    • NSC21984
    • 1,1-dimethyl-1-heptanol
    • SCHEMBL101294
    • SCHEMBL2108110
    • SCHEMBL3886373
    • SCHEMBL11432930
    • SCHEMBL20378020
    • SCHEMBL28829352
    • AKOS006275612
    • AS-56958
    • SY289490
    • NS00012946
    • D93517
    • 10.14272/KBCNUEXDHWDIFX-UHFFFAOYSA-N.1
    • doi:10.14272/KBCNUEXDHWDIFX-UHFFFAOYSA-N.1
    • 628-44-4

  • Applications

    2-Octanol, 2-methyl- (CAS 628-44-4) is used as a solvent and a chemical intermediate across diverse industrial processes. In perfumery and flavor-related work, it is commonly evaluated as a precursor for ester synthesis and can function as an odorant or fragrance component and potential fixative in formulations. In cosmetics and personal care, it may serve as a solvent and carrier for fragrance ingredients and actives. In coatings, inks and cleaning products, it functions as a solvent and processing aid to improve dissolution and formulation stability. In polymers and plastics processing, it can be used as an intermediate for ester formation or as a processing aid in resin formulations. Subject to local regulations and formulation limits, its use is tailored to the requirements of each application.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5234.12
    methanol 5031.51
    isopropanol 5393.25
    water 3.04
    ethyl acetate 2076.8
    n-propanol 4787.15
    acetone 2893.16
    n-butanol 5356.26
    acetonitrile 1448.94
    DMF 1983.4
    toluene 927.4
    isobutanol 3845.17
    1,4-dioxane 3313.94
    methyl acetate 1583.0
    THF 5261.9
    2-butanone 2436.58
    n-pentanol 3348.46
    sec-butanol 4845.09
    n-hexane 4192.36
    ethylene glycol 711.77
    NMP 1626.93
    cyclohexane 2467.46
    DMSO 1675.24
    n-butyl acetate 2807.32
    n-octanol 2100.61
    chloroform 3283.02
    n-propyl acetate 1579.79
    acetic acid 1785.97
    dichloromethane 1847.41
    cyclohexanone 3138.9
    propylene glycol 1581.77
    isopropyl acetate 1707.76
    DMAc 1543.94
    2-ethoxyethanol 2172.76
    isopentanol 4435.43
    n-heptane 2606.29
    ethyl formate 1026.03
    1,2-dichloroethane 1316.4
    n-hexanol 6089.81
    2-methoxyethanol 3580.87
    isobutyl acetate 1175.25
    tetrachloromethane 1092.52
    n-pentyl acetate 1372.87
    transcutol 4827.79
    n-heptanol 2181.92
    ethylbenzene 629.94
    MIBK 1619.51
    2-propoxyethanol 4433.14
    tert-butanol 6534.83
    MTBE 5114.24
    2-butoxyethanol 2166.72
    propionic acid 2068.78
    o-xylene 657.29
    formic acid 514.1
    diethyl ether 4242.17
    m-xylene 699.36
    p-xylene 787.62
    chlorobenzene 828.96
    dimethyl carbonate 332.4
    n-octane 641.28
    formamide 451.13
    cyclopentanone 2592.13
    2-pentanone 2488.74
    anisole 864.09
    cyclopentyl methyl ether 3067.51
    gamma-butyrolactone 1988.93
    1-methoxy-2-propanol 3179.38
    pyridine 1608.21
    3-pentanone 1627.53
    furfural 1215.14
    n-dodecane 305.17
    diethylene glycol 1995.63
    diisopropyl ether 1740.9
    tert-amyl alcohol 5165.36
    acetylacetone 1261.71
    n-hexadecane 335.78
    acetophenone 626.84
    methyl propionate 1360.24
    isopentyl acetate 2345.67
    trichloroethylene 1909.74
    n-nonanol 1728.24
    cyclohexanol 4037.08
    benzyl alcohol 739.42
    2-ethylhexanol 3395.7
    isooctanol 1590.4
    dipropyl ether 4001.88
    1,2-dichlorobenzene 653.19
    ethyl lactate 675.04
    propylene carbonate 1183.88
    n-methylformamide 1086.97
    2-pentanol 4045.71
    n-pentane 2379.41
    1-propoxy-2-propanol 3861.25
    1-methoxy-2-propyl acetate 1726.62
    2-(2-methoxypropoxy) propanol 1310.26
    mesitylene 551.27
    ε-caprolactone 2408.9
    p-cymene 570.81
    epichlorohydrin 1876.23
    1,1,1-trichloroethane 1848.48
    2-aminoethanol 1833.2
    morpholine-4-carbaldehyde 1912.07
    sulfolane 1781.72
    2,2,4-trimethylpentane 871.34
    2-methyltetrahydrofuran 4539.79
    n-hexyl acetate 2252.65
    isooctane 699.78
    2-(2-butoxyethoxy)ethanol 2069.9
    sec-butyl acetate 1278.2
    tert-butyl acetate 1960.19
    decalin 836.9
    glycerin 1470.24
    diglyme 2853.95
    acrylic acid 1152.04
    isopropyl myristate 770.31
    n-butyric acid 3296.15
    acetyl acetate 832.82
    di(2-ethylhexyl) phthalate 516.7
    ethyl propionate 1271.58
    nitromethane 1340.45
    1,2-diethoxyethane 2204.12
    benzonitrile 860.38
    trioctyl phosphate 546.53
    1-bromopropane 2169.71
    gamma-valerolactone 2608.1
    n-decanol 1193.98
    triethyl phosphate 544.36
    4-methyl-2-pentanol 2275.86
    propionitrile 1990.17
    vinylene carbonate 862.74
    1,1,2-trichlorotrifluoroethane 1658.43
    DMS 668.94
    cumene 495.72
    2-octanol 1470.21
    2-hexanone 2212.82
    octyl acetate 938.17
    limonene 1326.32
    1,2-dimethoxyethane 3452.3
    ethyl orthosilicate 693.78
    tributyl phosphate 644.21
    diacetone alcohol 1862.54
    N,N-dimethylaniline 654.42
    acrylonitrile 1283.09
    aniline 1206.48
    1,3-propanediol 2545.29
    bromobenzene 820.81
    dibromomethane 1834.7
    1,1,2,2-tetrachloroethane 2110.34
    2-methyl-cyclohexyl acetate 1232.52
    tetrabutyl urea 741.36
    diisobutyl methanol 1494.82
    2-phenylethanol 1145.86
    styrene 678.8
    dioctyl adipate 793.14
    dimethyl sulfate 407.82
    ethyl butyrate 1617.74
    methyl lactate 715.19
    butyl lactate 1088.59
    diethyl carbonate 757.89
    propanediol butyl ether 1963.09
    triethyl orthoformate 1329.49
    p-tert-butyltoluene 613.92
    methyl 4-tert-butylbenzoate 781.53
    morpholine 4392.67
    tert-butylamine 5551.55
    n-dodecanol 866.29
    dimethoxymethane 1480.57
    ethylene carbonate 986.57
    cyrene 752.78
    2-ethoxyethyl acetate 1107.12
    2-ethylhexyl acetate 1933.59
    1,2,4-trichlorobenzene 752.58
    4-methylpyridine 1737.84
    dibutyl ether 2886.29
    2,6-dimethyl-4-heptanol 1494.82
    DEF 1980.83
    dimethyl isosorbide 1379.54
    tetrachloroethylene 1599.89
    eugenol 693.26
    triacetin 1020.05
    span 80 1566.05
    1,4-butanediol 1047.87
    1,1-dichloroethane 1994.79
    2-methyl-1-pentanol 2691.09
    methyl formate 610.61
    2-methyl-1-butanol 3944.65
    n-decane 660.46
    butyronitrile 2657.89
    3,7-dimethyl-1-octanol 2028.68
    1-chlorooctane 1334.31
    1-chlorotetradecane 445.97
    n-nonane 780.03
    undecane 428.05
    tert-butylcyclohexane 932.95
    cyclooctane 870.82
    cyclopentanol 3277.27
    tetrahydropyran 5489.26
    tert-amyl methyl ether 3437.45
    2,5,8-trioxanonane 1613.23
    1-hexene 5297.68
    2-isopropoxyethanol 1792.6
    2,2,2-trifluoroethanol 445.83
    methyl butyrate 1690.4

    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