2-Methyl-1-heptanol

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  • Identifiers

    CAS number
    60435-70-3

    Molecular formula
    C8H18O

    SMILES
    CCCCCC(C)CO

    Retention indicies (RI)

    • Carbowax: 1306.0

  • Odor profile

    Oily 65.5%
    Sweet 54.89%
    Fatty 54.71%
    Green 51.73%
    Floral 48.57%
    Herbal 47.72%
    Fresh 47.25%
    Waxy 44.86%
    Fruity 44.34%
    Citrus 43.06%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    185°C

    Flash point est.
    74.29 ˚C

  • Synonyms

    • 2-methyl-1-heptanol
    • 60435-70-3
    • 2-methylheptan-1-ol
    • 1-Heptanol, 2-methyl
    • EC 809-896-5
    • NSC 9299
    • NSC9299
    • SCHEMBL498066
    • DTXSID001031422
    • NSC-9299
    • AKOS006274617
    • NS00001421
    • A1-31708
    • 809-896-5

  • Applications

    2-Methyl-1-heptanol (CAS 60435-70-3) is a branched C8 primary alcohol used mainly as a versatile intermediate: esterification produces fatty esters and phthalate/adipate/trimellitate esters for PVC and rubber plasticizers, lubricant esters for base oils and additives that improve low-temperature flow and lubricity in lubricants and metalworking fluids, and acetate/long-chain esters for fragrance and personal care (fragrance carriers, fixatives, emollients); it can also be alkoxylated (ethoxylates/propoxylates) to give nonionic surfactants for cleaners, coatings, and inks; either itself or via derivatives it serves as a medium-evaporation solvent and coalescent in waterborne paints, a wetting/dispersion aid in adhesives, inks, and coatings, and a useful building block in pharmaceutical and agrochemical synthesis, specialty polymer intermediates, and analytical reference materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21756.04
    methanol 15089.6
    isopropanol 21085.34
    water 0.76
    ethyl acetate 7968.5
    n-propanol 18739.22
    acetone 13115.98
    n-butanol 18428.05
    acetonitrile 7500.77
    DMF 5582.64
    toluene 1621.29
    isobutanol 12695.95
    1,4-dioxane 8520.07
    methyl acetate 4937.05
    THF 16737.66
    2-butanone 8248.9
    n-pentanol 8544.16
    sec-butanol 13266.68
    n-hexane 2558.26
    ethylene glycol 1265.37
    NMP 2569.91
    cyclohexane 2630.93
    DMSO 9098.8
    n-butyl acetate 10560.58
    n-octanol 2383.71
    chloroform 9643.63
    n-propyl acetate 6062.35
    acetic acid 7109.74
    dichloromethane 8602.05
    cyclohexanone 9588.21
    propylene glycol 2659.01
    isopropyl acetate 4581.55
    DMAc 1910.17
    2-ethoxyethanol 5706.38
    isopentanol 12877.46
    n-heptane 2170.62
    ethyl formate 5575.3
    1,2-dichloroethane 5843.19
    n-hexanol 11730.64
    2-methoxyethanol 10864.06
    isobutyl acetate 2848.98
    tetrachloromethane 2573.48
    n-pentyl acetate 3337.94
    transcutol 10379.53
    n-heptanol 3387.97
    ethylbenzene 898.49
    MIBK 4093.17
    2-propoxyethanol 9563.43
    tert-butanol 18970.59
    MTBE 9634.07
    2-butoxyethanol 4512.56
    propionic acid 6100.37
    o-xylene 800.11
    formic acid 1200.98
    diethyl ether 10234.28
    m-xylene 1039.17
    p-xylene 1162.99
    chlorobenzene 2091.21
    dimethyl carbonate 576.65
    n-octane 452.15
    formamide 1848.08
    cyclopentanone 8721.76
    2-pentanone 8657.19
    anisole 1661.48
    cyclopentyl methyl ether 6464.72
    gamma-butyrolactone 7358.66
    1-methoxy-2-propanol 8063.56
    pyridine 5988.86
    3-pentanone 3509.62
    furfural 4138.52
    n-dodecane 172.8
    diethylene glycol 3443.48
    diisopropyl ether 2732.39
    tert-amyl alcohol 10022.85
    acetylacetone 4032.89
    n-hexadecane 196.12
    acetophenone 1218.3
    methyl propionate 3560.54
    isopentyl acetate 7165.38
    trichloroethylene 7864.23
    n-nonanol 1790.26
    cyclohexanol 8910.4
    benzyl alcohol 1667.78
    2-ethylhexanol 6365.83
    isooctanol 2507.69
    dipropyl ether 8588.55
    1,2-dichlorobenzene 1461.23
    ethyl lactate 1195.39
    propylene carbonate 3565.42
    n-methylformamide 4966.03
    2-pentanol 10471.92
    n-pentane 2296.01
    1-propoxy-2-propanol 8995.92
    1-methoxy-2-propyl acetate 3764.22
    2-(2-methoxypropoxy) propanol 1384.6
    mesitylene 665.43
    ε-caprolactone 6907.94
    p-cymene 943.41
    epichlorohydrin 8182.63
    1,1,1-trichloroethane 5552.73
    2-aminoethanol 4766.34
    morpholine-4-carbaldehyde 3544.43
    sulfolane 5127.18
    2,2,4-trimethylpentane 664.32
    2-methyltetrahydrofuran 12882.79
    n-hexyl acetate 3475.93
    isooctane 686.03
    2-(2-butoxyethoxy)ethanol 2862.07
    sec-butyl acetate 3052.17
    tert-butyl acetate 3830.36
    decalin 622.34
    glycerin 2001.9
    diglyme 5577.13
    acrylic acid 2855.74
    isopropyl myristate 854.3
    n-butyric acid 14369.83
    acetyl acetate 2057.75
    di(2-ethylhexyl) phthalate 550.21
    ethyl propionate 3409.72
    nitromethane 7048.95
    1,2-diethoxyethane 6283.83
    benzonitrile 2602.25
    trioctyl phosphate 586.15
    1-bromopropane 6034.09
    gamma-valerolactone 8897.69
    n-decanol 1160.82
    triethyl phosphate 844.59
    4-methyl-2-pentanol 4142.69
    propionitrile 8006.2
    vinylene carbonate 2561.1
    1,1,2-trichlorotrifluoroethane 3955.83
    DMS 882.6
    cumene 595.88
    2-octanol 2056.63
    2-hexanone 6158.62
    octyl acetate 1073.75
    limonene 2161.81
    1,2-dimethoxyethane 9484.82
    ethyl orthosilicate 1068.26
    tributyl phosphate 763.26
    diacetone alcohol 4131.92
    N,N-dimethylaniline 855.08
    acrylonitrile 6065.31
    aniline 2767.09
    1,3-propanediol 7952.63
    bromobenzene 1943.73
    dibromomethane 7177.71
    1,1,2,2-tetrachloroethane 6063.08
    2-methyl-cyclohexyl acetate 2065.34
    tetrabutyl urea 816.62
    diisobutyl methanol 2878.31
    2-phenylethanol 2327.47
    styrene 1184.05
    dioctyl adipate 996.98
    dimethyl sulfate 687.14
    ethyl butyrate 5845.84
    methyl lactate 1177.42
    butyl lactate 2014.14
    diethyl carbonate 2093.46
    propanediol butyl ether 2679.96
    triethyl orthoformate 2801.32
    p-tert-butyltoluene 918.4
    methyl 4-tert-butylbenzoate 898.63
    morpholine 13152.15
    tert-butylamine 14045.47
    n-dodecanol 805.76
    dimethoxymethane 4112.28
    ethylene carbonate 2908.23
    cyrene 815.07
    2-ethoxyethyl acetate 2625.2
    2-ethylhexyl acetate 4813.26
    1,2,4-trichlorobenzene 1440.71
    4-methylpyridine 5473.47
    dibutyl ether 4416.72
    2,6-dimethyl-4-heptanol 2878.31
    DEF 5377.07
    dimethyl isosorbide 1889.99
    tetrachloroethylene 4773.89
    eugenol 938.17
    triacetin 1215.05
    span 80 1792.06
    1,4-butanediol 2309.04
    1,1-dichloroethane 8023.86
    2-methyl-1-pentanol 5594.55
    methyl formate 2654.49
    2-methyl-1-butanol 9894.87
    n-decane 388.98
    butyronitrile 12648.06
    3,7-dimethyl-1-octanol 2434.99
    1-chlorooctane 1347.58
    1-chlorotetradecane 353.2
    n-nonane 467.23
    undecane 243.89
    tert-butylcyclohexane 691.62
    cyclooctane 661.71
    cyclopentanol 9119.81
    tetrahydropyran 15921.03
    tert-amyl methyl ether 4662.61
    2,5,8-trioxanonane 2190.23
    1-hexene 6317.08
    2-isopropoxyethanol 3661.27
    2,2,2-trifluoroethanol 976.06
    methyl butyrate 6124.03

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 0.9%