3-Methyl-3-octanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5340-36-3

    Molecular formula
    C9H20O

    SMILES
    CCCCCC(C)(CC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 81.04%
    Sweet 62.12%
    Fruity 61.44%
    Citrus 59.33%
    Fresh 57.35%
    Rose 52.26%
    Herbal 48.12%
    Green 48.07%
    Woody 47.58%
    Oily 43.87%

     

    Flavor
    Green 67.69%
    Floral 66.94%
    Woody 51.59%
    Fruity 43.28%
    Earthy 41.51%
    Citrus 41.36%
    Oily 40.43%
    Sweet 38.06%
    Lily 36.84%
    Waxy 36.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.25 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 71.01 ˚C est.

  • Synonyms

    • 3-METHYL-3-OCTANOL
    • 3-Methyloctan-3-ol
    • Amylethylmethylcarbinol
    • 2-Ethyl-2-heptanol
    • 3-Octanol, 3-methyl-
    • Aprol 161
    • NSC 903
    • EINECS 226-276-4
    • BRN 1733747
    • AI3-24904
    • NSC-903
    • 519R9981PM
    • UNII-519R9981PM
    • DTXSID80884148
    • 4-01-00-01807 (Beilstein Handbook Reference)
    • RefChem:94757
    • DTXCID301023614
    • 3-METHYL-3-OCTANOL, (+-)-
    • JEWXYDDSLPIBBO-UHFFFAOYSA-N
    • 5340-36-3
    • MFCD00021847
    • NSC903
    • 3-methyl-octan-3-ol
    • 3-Methyl-3-octanol, 99%
    • SCHEMBL295624
    • SCHEMBL5048403
    • SCHEMBL11429363
    • SCHEMBL11662288
    • AKOS009158981
    • 3-METHYL-3-OCTANOL, (+/-)-
    • NS00012945
    • G86086
    • Q4634170
    • 5340-36-3

  • Applications

    3-Methyl-3-octanol (CAS number: 5340-36-3) is a long-chain tertiary aliphatic alcohol commonly used as a specialty solvent and processing aid in industrial formulations; in coatings, inks and adhesives, it helps dissolve resinous components and serves as a carrier during formulation. It may also serve as a chemical intermediate for the synthesis of esters used in fragrance ingredients and cosmetics, providing building blocks for aroma compounds. In cosmetics and personal care, it may function as a solvent or carrier for active ingredients and as a precursor to fragrance compounds. In household cleaning products, it can act as a solvent and carrier for surfactants and cleaners. In polymers and plastics, it may be used as a processing aid or reactive intermediate in the preparation of specialty polymers or additives. Use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5156.66
    methanol 3654.72
    isopropanol 5436.43
    water 1.33
    ethyl acetate 2178.44
    n-propanol 4313.8
    acetone 2141.02
    n-butanol 4725.59
    acetonitrile 1697.12
    DMF 1256.95
    toluene 821.94
    isobutanol 3411.23
    1,4-dioxane 4094.77
    methyl acetate 1458.84
    THF 5551.29
    2-butanone 2118.37
    n-pentanol 3040.22
    sec-butanol 4552.03
    n-hexane 2954.77
    ethylene glycol 370.96
    NMP 997.25
    cyclohexane 2337.28
    DMSO 1382.97
    n-butyl acetate 3098.46
    n-octanol 1878.65
    chloroform 3748.89
    n-propyl acetate 1441.18
    acetic acid 1288.79
    dichloromethane 2369.12
    cyclohexanone 2698.73
    propylene glycol 988.88
    isopropyl acetate 1499.42
    DMAc 953.71
    2-ethoxyethanol 1978.34
    isopentanol 3975.69
    n-heptane 2478.12
    ethyl formate 1053.45
    1,2-dichloroethane 1471.39
    n-hexanol 5693.92
    2-methoxyethanol 2917.14
    isobutyl acetate 942.77
    tetrachloromethane 960.44
    n-pentyl acetate 1416.84
    transcutol 4061.54
    n-heptanol 2082.4
    ethylbenzene 580.63
    MIBK 1336.14
    2-propoxyethanol 3722.58
    tert-butanol 6284.96
    MTBE 4435.9
    2-butoxyethanol 1916.82
    propionic acid 1427.99
    o-xylene 510.44
    formic acid 272.36
    diethyl ether 4259.79
    m-xylene 562.72
    p-xylene 742.24
    chlorobenzene 809.84
    dimethyl carbonate 208.17
    n-octane 612.27
    formamide 301.88
    cyclopentanone 2083.9
    2-pentanone 2064.16
    anisole 802.1
    cyclopentyl methyl ether 2531.01
    gamma-butyrolactone 1718.29
    1-methoxy-2-propanol 2561.47
    pyridine 1926.16
    3-pentanone 1162.38
    furfural 1177.58
    n-dodecane 307.05
    diethylene glycol 1408.33
    diisopropyl ether 1465.38
    tert-amyl alcohol 4517.39
    acetylacetone 1036.39
    n-hexadecane 333.73
    acetophenone 536.75
    methyl propionate 1057.93
    isopentyl acetate 2468.01
    trichloroethylene 1884.55
    n-nonanol 1551.87
    cyclohexanol 3309.59
    benzyl alcohol 693.54
    2-ethylhexanol 3396.72
    isooctanol 1599.65
    dipropyl ether 3965.34
    1,2-dichlorobenzene 615.28
    ethyl lactate 490.71
    propylene carbonate 1037.63
    n-methylformamide 769.1
    2-pentanol 3433.35
    n-pentane 1946.71
    1-propoxy-2-propanol 3205.57
    1-methoxy-2-propyl acetate 1455.6
    2-(2-methoxypropoxy) propanol 1081.73
    mesitylene 429.28
    ε-caprolactone 2183.38
    p-cymene 586.47
    epichlorohydrin 2006.23
    1,1,1-trichloroethane 1811.83
    2-aminoethanol 1258.27
    morpholine-4-carbaldehyde 1603.24
    sulfolane 1330.01
    2,2,4-trimethylpentane 575.09
    2-methyltetrahydrofuran 4760.35
    n-hexyl acetate 1962.35
    isooctane 528.12
    2-(2-butoxyethoxy)ethanol 1743.6
    sec-butyl acetate 1059.73
    tert-butyl acetate 1490.62
    decalin 634.91
    glycerin 805.15
    diglyme 2531.75
    acrylic acid 703.81
    isopropyl myristate 704.21
    n-butyric acid 2884.54
    acetyl acetate 697.51
    di(2-ethylhexyl) phthalate 464.61
    ethyl propionate 1056.67
    nitromethane 1125.65
    1,2-diethoxyethane 2428.14
    benzonitrile 974.51
    trioctyl phosphate 463.22
    1-bromopropane 2444.97
    gamma-valerolactone 2405.91
    n-decanol 1075.63
    triethyl phosphate 473.16
    4-methyl-2-pentanol 1863.4
    propionitrile 2229.27
    vinylene carbonate 753.44
    1,1,2-trichlorotrifluoroethane 1201.35
    DMS 512.03
    cumene 433.07
    2-octanol 1447.51
    2-hexanone 1821.27
    octyl acetate 824.9
    limonene 1276.3
    1,2-dimethoxyethane 3378.53
    ethyl orthosilicate 566.79
    tributyl phosphate 533.6
    diacetone alcohol 1379.25
    N,N-dimethylaniline 553.14
    acrylonitrile 1336.6
    aniline 1092.62
    1,3-propanediol 1992.33
    bromobenzene 810.7
    dibromomethane 2239.75
    1,1,2,2-tetrachloroethane 1993.69
    2-methyl-cyclohexyl acetate 1079.56
    tetrabutyl urea 612.51
    diisobutyl methanol 1381.29
    2-phenylethanol 1097.75
    styrene 651.7
    dioctyl adipate 728.99
    dimethyl sulfate 240.57
    ethyl butyrate 1753.27
    methyl lactate 453.34
    butyl lactate 906.44
    diethyl carbonate 813.88
    propanediol butyl ether 1489.99
    triethyl orthoformate 1229.83
    p-tert-butyltoluene 606.14
    methyl 4-tert-butylbenzoate 670.6
    morpholine 5169.17
    tert-butylamine 5374.61
    n-dodecanol 799.09
    dimethoxymethane 1212.93
    ethylene carbonate 891.06
    cyrene 572.02
    2-ethoxyethyl acetate 1079.02
    2-ethylhexyl acetate 1958.54
    1,2,4-trichlorobenzene 661.53
    4-methylpyridine 1863.54
    dibutyl ether 2570.39
    2,6-dimethyl-4-heptanol 1381.29
    DEF 1548.05
    dimethyl isosorbide 1209.76
    tetrachloroethylene 1351.42
    eugenol 609.04
    triacetin 836.36
    span 80 1343.5
    1,4-butanediol 736.98
    1,1-dichloroethane 2315.24
    2-methyl-1-pentanol 2345.17
    methyl formate 435.13
    2-methyl-1-butanol 3163.1
    n-decane 614.21
    butyronitrile 3193.6
    3,7-dimethyl-1-octanol 1693.42
    1-chlorooctane 1170.18
    1-chlorotetradecane 413.0
    n-nonane 714.23
    undecane 415.79
    tert-butylcyclohexane 667.3
    cyclooctane 678.95
    cyclopentanol 2873.57
    tetrahydropyran 6314.54
    tert-amyl methyl ether 2574.83
    2,5,8-trioxanonane 1487.42
    1-hexene 4270.95
    2-isopropoxyethanol 1613.85
    2,2,2-trifluoroethanol 240.68
    methyl butyrate 1516.67

    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