2-Methyloctanol

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  • Identifiers

    CAS number
    818-81-5

    Molecular formula
    C9H20O

    SMILES
    CCCCCCC(C)CO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1172.0

  • Odor profile

    Fragrance
    Oily 62.6%
    Fatty 55.31%
    Waxy 54.72%
    Floral 51.84%
    Citrus 48.21%
    Fruity 46.52%
    Fresh 45.96%
    Sweet 45.39%
    Herbal 39.54%
    Green 39.51%

     

    Flavor
    Floral 60.32%
    Green 52.95%
    Citrus 52.15%
    Waxy 50.99%
    Fresh 49.34%
    Rose 42.43%
    Mushroom 39.83%
    Orange 39.7%
    Herbal 39.39%
    Oily 36.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.8 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    204°C

    Flash point

    • 83.5 ˚C est.

  • Synonyms

    • 2-Methyloctan-1-ol
    • 818-81-5
    • 2-Methyloctanol
    • 2-Methyl-1-octanol
    • 1-Octanol, 2-methyl-
    • EINECS 212-457-5
    • 4FT7336DZ7
    • 1-HYDROXY-2-METHYLOCTANE
    • DTXSID20862425
    • UNII-4FT7336DZ7
    • MFCD02258714
    • (-)-2-methyloctanol
    • 2-Methyl-n-octanol-1
    • 2-Methyl-1-octanol #
    • SCHEMBL226264
    • DTXCID40811192
    • AKOS013993199
    • DS-3200
    • SB83942
    • DB-217498
    • CS-0210362
    • NS00041942
    • EN300-342764
    • G78521
    • Q27259539
    • Z1238840360
    • 212-457-5

  • Applications

    2-Methyloctanol (CAS 818-81-5) finds use as a solvent and building block in several industries. In perfumery, it acts as an odorant component that can contribute to fragrance profiles. In cosmetics and personal care, it serves as a solvent or processing aid and can function as a carrier for fragrances. In household cleaning products, it is used as a solvent or co-solvent to dissolve hydrophobic residues. In industrial manufacturing, it is employed as a solvent or formulation component in coatings and inks, and can serve as an intermediate in the synthesis of fragrance esters and other specialty chemicals. Its use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24579.7
    methanol 17215.95
    isopropanol 27803.46
    water 0.4
    ethyl acetate 14072.06
    n-propanol 22822.86
    acetone 21049.64
    n-butanol 23132.28
    acetonitrile 10265.31
    DMF 7847.21
    toluene 2402.32
    isobutanol 17899.5
    1,4-dioxane 12627.29
    methyl acetate 7911.16
    THF 22312.9
    2-butanone 12998.13
    n-pentanol 11316.42
    sec-butanol 18083.62
    n-hexane 5145.5
    ethylene glycol 1152.93
    NMP 2991.25
    cyclohexane 4808.11
    DMSO 9671.15
    n-butyl acetate 15706.78
    n-octanol 3063.65
    chloroform 11584.57
    n-propyl acetate 9431.68
    acetic acid 7492.06
    dichloromethane 9518.15
    cyclohexanone 13082.46
    propylene glycol 2559.54
    isopropyl acetate 9007.19
    DMAc 2969.72
    2-ethoxyethanol 8028.86
    isopentanol 18384.6
    n-heptane 3374.16
    ethyl formate 6808.23
    1,2-dichloroethane 8120.53
    n-hexanol 15166.82
    2-methoxyethanol 14569.89
    isobutyl acetate 4759.05
    tetrachloromethane 3174.83
    n-pentyl acetate 4993.39
    transcutol 15169.72
    n-heptanol 4146.34
    ethylbenzene 1380.67
    MIBK 7177.01
    2-propoxyethanol 12835.26
    tert-butanol 29428.74
    MTBE 20176.76
    2-butoxyethanol 5741.86
    propionic acid 6777.53
    o-xylene 1166.93
    formic acid 1099.13
    diethyl ether 20097.12
    m-xylene 1636.41
    p-xylene 1729.46
    chlorobenzene 2795.23
    dimethyl carbonate 895.75
    n-octane 757.66
    formamide 1762.55
    cyclopentanone 10945.25
    2-pentanone 14477.54
    anisole 2395.8
    cyclopentyl methyl ether 10262.33
    gamma-butyrolactone 8680.81
    1-methoxy-2-propanol 11797.19
    pyridine 7819.07
    3-pentanone 6034.91
    furfural 4800.07
    n-dodecane 273.41
    diethylene glycol 4239.72
    diisopropyl ether 5794.33
    tert-amyl alcohol 15599.5
    acetylacetone 6704.16
    n-hexadecane 314.12
    acetophenone 1659.46
    methyl propionate 6106.62
    isopentyl acetate 10901.07
    trichloroethylene 10203.02
    n-nonanol 2405.52
    cyclohexanol 12208.28
    benzyl alcohol 2048.45
    2-ethylhexanol 8348.02
    isooctanol 3401.4
    dipropyl ether 14826.48
    1,2-dichlorobenzene 1915.21
    ethyl lactate 1704.4
    propylene carbonate 4404.0
    n-methylformamide 5567.36
    2-pentanol 15717.97
    n-pentane 4031.53
    1-propoxy-2-propanol 12357.57
    1-methoxy-2-propyl acetate 6048.3
    2-(2-methoxypropoxy) propanol 1815.59
    mesitylene 1070.57
    ε-caprolactone 9089.79
    p-cymene 1270.64
    epichlorohydrin 10679.22
    1,1,1-trichloroethane 8310.81
    2-aminoethanol 4600.27
    morpholine-4-carbaldehyde 4718.74
    sulfolane 5877.72
    2,2,4-trimethylpentane 1183.29
    2-methyltetrahydrofuran 17728.37
    n-hexyl acetate 4950.81
    isooctane 1252.51
    2-(2-butoxyethoxy)ethanol 3872.89
    sec-butyl acetate 5384.09
    tert-butyl acetate 7397.42
    decalin 1032.14
    glycerin 2139.48
    diglyme 7730.64
    acrylic acid 3067.01
    isopropyl myristate 1285.02
    n-butyric acid 18040.35
    acetyl acetate 3474.71
    di(2-ethylhexyl) phthalate 708.67
    ethyl propionate 5835.24
    nitromethane 8601.73
    1,2-diethoxyethane 10932.95
    benzonitrile 3187.74
    trioctyl phosphate 768.02
    1-bromopropane 9226.72
    gamma-valerolactone 11600.17
    n-decanol 1564.18
    triethyl phosphate 1206.84
    4-methyl-2-pentanol 6430.88
    propionitrile 11440.07
    vinylene carbonate 3084.57
    1,1,2-trichlorotrifluoroethane 4820.12
    DMS 1382.04
    cumene 886.22
    2-octanol 2729.37
    2-hexanone 9901.48
    octyl acetate 1546.67
    limonene 2974.92
    1,2-dimethoxyethane 14573.01
    ethyl orthosilicate 1555.24
    tributyl phosphate 1052.21
    diacetone alcohol 6349.99
    N,N-dimethylaniline 1196.54
    acrylonitrile 7682.39
    aniline 3520.62
    1,3-propanediol 9119.91
    bromobenzene 2784.94
    dibromomethane 8575.22
    1,1,2,2-tetrachloroethane 8133.26
    2-methyl-cyclohexyl acetate 2861.21
    tetrabutyl urea 1096.02
    diisobutyl methanol 4212.21
    2-phenylethanol 2870.19
    styrene 1801.59
    dioctyl adipate 1378.27
    dimethyl sulfate 943.7
    ethyl butyrate 9004.51
    methyl lactate 1636.06
    butyl lactate 2772.79
    diethyl carbonate 3055.53
    propanediol butyl ether 3211.6
    triethyl orthoformate 4309.97
    p-tert-butyltoluene 1233.09
    methyl 4-tert-butylbenzoate 1233.35
    morpholine 18551.65
    tert-butylamine 22651.17
    n-dodecanol 1083.27
    dimethoxymethane 6748.77
    ethylene carbonate 3757.02
    cyrene 1078.42
    2-ethoxyethyl acetate 4025.46
    2-ethylhexyl acetate 7355.21
    1,2,4-trichlorobenzene 1835.53
    4-methylpyridine 7680.71
    dibutyl ether 7459.64
    2,6-dimethyl-4-heptanol 4212.21
    DEF 8522.67
    dimethyl isosorbide 2505.65
    tetrachloroethylene 6300.86
    eugenol 1186.09
    triacetin 1824.53
    span 80 2223.64
    1,4-butanediol 2478.23
    1,1-dichloroethane 12110.3
    2-methyl-1-pentanol 8125.04
    methyl formate 3051.44
    2-methyl-1-butanol 14007.38
    n-decane 637.31
    butyronitrile 17647.81
    3,7-dimethyl-1-octanol 3400.45
    1-chlorooctane 2059.67
    1-chlorotetradecane 543.84
    n-nonane 780.66
    undecane 395.06
    tert-butylcyclohexane 1185.03
    cyclooctane 1179.11
    cyclopentanol 10932.02
    tetrahydropyran 24204.98
    tert-amyl methyl ether 9289.49
    2,5,8-trioxanonane 2942.62
    1-hexene 11999.56
    2-isopropoxyethanol 5555.07
    2,2,2-trifluoroethanol 1084.22
    methyl butyrate 9422.47

    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

Botanical

Name CAS Botanical Proportion
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 0.4%