5-Methyl-1-heptanol

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  • Identifiers

    CAS number
    7212-53-5

    Molecular formula
    C8H18O

    SMILES
    CCC(C)CCCCO

    Safety labels

  • Odor profile

    Fragrance
    Green 72.41%
    Floral 70.68%
    Oily 62.02%
    Fatty 59.0%
    Sweet 58.67%
    Waxy 54.94%
    Fresh 54.87%
    Rose 53.55%
    Citrus 51.74%
    Herbal 44.95%

     

    Flavor
    Green 68.73%
    Floral 52.41%
    Fresh 51.98%
    Waxy 51.51%
    Citrus 49.04%
    Mushroom 43.17%
    Rose 40.68%
    Bitter 39.77%
    Orange 39.68%
    Herbal 39.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.07 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    191°C

    Flash point

    • 74.89 ˚C est.

  • Synonyms

    • 5-Methyl-1-heptanol
    • 7212-53-5
    • UNII-W04S9OCX86
    • W04S9OCX86
    • DTXSID40880742
    • RefChem:103087
    • DTXCID00978533
    • (+-)-5-METHYL-1-HEPTANOL
    • 5-METHYL-1-HEPTANOL, (+-)-
    • KFARNLMRENFOHE-UHFFFAOYSA-N
    • 5-methylheptan-1-ol
    • 5-Ethylhexanol
    • SCHEMBL26539
    • SCHEMBL497377
    • SCHEMBL8394949
    • AKOS006228482
    • (+/-)-5-METHYL-1-HEPTANOL
    • 5-METHYL-1-HEPTANOL, (+/-)-
    • DB-053110
    • NS00096161
    • G69030
    • Q27292121
    • 7212-53-5

  • Applications

    5-Methyl-1-heptanol is a branched C8 primary alcohol used mainly as a solvent and a reactive intermediate in industrial formulations. In coatings, inks, and cleaning products it serves as a solvent or co-solvent for resin systems and actives. It is also a convenient precursor for the synthesis of fragrance and flavor esters, enabling fragrance ingredients and odor-active compounds. In polymer and plastics processing it can function as a monomer or plasticizer component via esterification, improving flexibility and processability. It is also employed as a building block in lubricants and specialty esters, and may be present in cosmetic and personal care formulations as a solvent or fragrance-related component, subject to formulation specifications and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24328.26
    methanol 15775.46
    isopropanol 24617.59
    water 1.06
    ethyl acetate 10988.24
    n-propanol 22223.7
    acetone 19190.05
    n-butanol 22112.68
    acetonitrile 8794.08
    DMF 7987.78
    toluene 1595.36
    isobutanol 14981.11
    1,4-dioxane 10414.18
    methyl acetate 6589.51
    THF 23039.71
    2-butanone 12188.39
    n-pentanol 9167.78
    sec-butanol 14823.29
    n-hexane 2089.49
    ethylene glycol 1833.97
    NMP 4480.88
    cyclohexane 2395.3
    DMSO 15091.65
    n-butyl acetate 11034.11
    n-octanol 2197.68
    chloroform 8752.92
    n-propyl acetate 6554.53
    acetic acid 8038.57
    dichloromethane 8833.22
    cyclohexanone 14306.84
    propylene glycol 3737.19
    isopropyl acetate 5930.39
    DMAc 2623.24
    2-ethoxyethanol 6824.42
    isopentanol 15116.28
    n-heptane 1633.8
    ethyl formate 6443.71
    1,2-dichloroethane 7073.3
    n-hexanol 11573.59
    2-methoxyethanol 14445.57
    isobutyl acetate 2981.89
    tetrachloromethane 2740.85
    n-pentyl acetate 3186.55
    transcutol 12769.55
    n-heptanol 3014.72
    ethylbenzene 811.97
    MIBK 5172.9
    2-propoxyethanol 10976.88
    tert-butanol 22673.52
    MTBE 10914.94
    2-butoxyethanol 4353.62
    propionic acid 8454.88
    o-xylene 862.84
    formic acid 1542.98
    diethyl ether 11622.29
    m-xylene 1213.41
    p-xylene 1046.43
    chlorobenzene 2172.24
    dimethyl carbonate 839.62
    n-octane 344.65
    formamide 2769.64
    cyclopentanone 14939.2
    2-pentanone 12345.87
    anisole 1689.0
    cyclopentyl methyl ether 10103.23
    gamma-butyrolactone 11960.89
    1-methoxy-2-propanol 11067.07
    pyridine 6469.62
    3-pentanone 5200.58
    furfural 5344.05
    n-dodecane 131.21
    diethylene glycol 4221.37
    diisopropyl ether 3080.56
    tert-amyl alcohol 11792.84
    acetylacetone 5894.64
    n-hexadecane 149.99
    acetophenone 1235.92
    methyl propionate 5322.68
    isopentyl acetate 6988.84
    trichloroethylene 9184.04
    n-nonanol 1651.1
    cyclohexanol 11389.81
    benzyl alcohol 1683.81
    2-ethylhexanol 5672.16
    isooctanol 2200.32
    dipropyl ether 8357.52
    1,2-dichlorobenzene 1610.53
    ethyl lactate 1325.59
    propylene carbonate 4793.54
    n-methylformamide 7368.85
    2-pentanol 12133.27
    n-pentane 1885.01
    1-propoxy-2-propanol 9483.17
    1-methoxy-2-propyl acetate 4654.53
    2-(2-methoxypropoxy) propanol 1527.76
    mesitylene 771.71
    ε-caprolactone 9242.33
    p-cymene 855.67
    epichlorohydrin 11396.7
    1,1,1-trichloroethane 6539.17
    2-aminoethanol 6718.65
    morpholine-4-carbaldehyde 4750.13
    sulfolane 9227.58
    2,2,4-trimethylpentane 622.65
    2-methyltetrahydrofuran 19433.18
    n-hexyl acetate 3527.44
    isooctane 603.1
    2-(2-butoxyethoxy)ethanol 3121.62
    sec-butyl acetate 3251.58
    tert-butyl acetate 5318.11
    decalin 586.12
    glycerin 2818.69
    diglyme 6309.81
    acrylic acid 4028.97
    isopropyl myristate 851.62
    n-butyric acid 18001.2
    acetyl acetate 2709.79
    di(2-ethylhexyl) phthalate 561.06
    ethyl propionate 4110.06
    nitromethane 9954.13
    1,2-diethoxyethane 6879.85
    benzonitrile 2458.81
    trioctyl phosphate 591.28
    1-bromopropane 5870.08
    gamma-valerolactone 13014.54
    n-decanol 1091.03
    triethyl phosphate 868.15
    4-methyl-2-pentanol 4402.53
    propionitrile 8788.08
    vinylene carbonate 3247.76
    1,1,2-trichlorotrifluoroethane 4901.37
    DMS 1106.6
    cumene 543.91
    2-octanol 1826.8
    2-hexanone 6865.5
    octyl acetate 1091.69
    limonene 2117.28
    1,2-dimethoxyethane 9853.66
    ethyl orthosilicate 1066.22
    tributyl phosphate 832.59
    diacetone alcohol 5711.35
    N,N-dimethylaniline 822.7
    acrylonitrile 6888.3
    aniline 3420.73
    1,3-propanediol 10604.08
    bromobenzene 1945.04
    dibromomethane 7055.14
    1,1,2,2-tetrachloroethane 7014.7
    2-methyl-cyclohexyl acetate 2022.37
    tetrabutyl urea 874.0
    diisobutyl methanol 2505.9
    2-phenylethanol 2251.0
    styrene 1074.12
    dioctyl adipate 1005.37
    dimethyl sulfate 1133.85
    ethyl butyrate 6067.07
    methyl lactate 1630.87
    butyl lactate 2030.96
    diethyl carbonate 2083.9
    propanediol butyl ether 2707.04
    triethyl orthoformate 2682.02
    p-tert-butyltoluene 836.65
    methyl 4-tert-butylbenzoate 945.76
    morpholine 16729.54
    tert-butylamine 14807.95
    n-dodecanol 755.48
    dimethoxymethane 5420.52
    ethylene carbonate 3581.83
    cyrene 919.46
    2-ethoxyethyl acetate 2823.16
    2-ethylhexyl acetate 4675.01
    1,2,4-trichlorobenzene 1631.7
    4-methylpyridine 5967.4
    dibutyl ether 4135.18
    2,6-dimethyl-4-heptanol 2505.9
    DEF 7388.04
    dimethyl isosorbide 2230.49
    tetrachloroethylene 5514.58
    eugenol 933.5
    triacetin 1342.18
    span 80 1836.41
    1,4-butanediol 2677.22
    1,1-dichloroethane 8260.29
    2-methyl-1-pentanol 5885.2
    methyl formate 3645.03
    2-methyl-1-butanol 11995.52
    n-decane 302.59
    butyronitrile 13741.01
    3,7-dimethyl-1-octanol 2296.38
    1-chlorooctane 1270.75
    1-chlorotetradecane 317.57
    n-nonane 363.61
    undecane 188.16
    tert-butylcyclohexane 621.06
    cyclooctane 613.65
    cyclopentanol 13547.23
    tetrahydropyran 19873.55
    tert-amyl methyl ether 5561.15
    2,5,8-trioxanonane 2489.1
    1-hexene 5716.24
    2-isopropoxyethanol 4125.82
    2,2,2-trifluoroethanol 1338.6
    methyl butyrate 6804.51

    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