(S)-(+)-4-Methyl-1-hexanol

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  • Identifiers

    CAS number
    1767-46-0

    Molecular formula
    C7H16O

    SMILES
    CC[C@H](C)CCCO

  • Odor profile

    Fragrance
    Green 76.33%
    Oily 68.2%
    Fatty 58.7%
    Fermented 49.78%
    Herbal 49.68%
    Floral 46.82%
    Sweet 46.8%
    Fruity 45.2%
    Fresh 45.0%
    Musty 44.12%

     

    Flavor
    Green 63.16%
    Fruity 46.29%
    Fresh 41.57%
    Herbal 38.91%
    Floral 38.23%
    Citrus 36.1%
    Mushroom 35.66%
    Musty 34.45%
    Earthy 33.76%
    Bitter 33.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.07 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    171°C

    Flash point

    • 66.16 ˚C est.

  • Synonyms

    • (S)-(+)-4-Methyl-1-hexanol
    • 1767-46-0
    • (4S)-4-Methylhexan-1-ol
    • (S)-4-Methylhexan-1-ol
    • 1-Hexanol, 4-methyl-, (4S)-
    • 1-Hexanol,4-methyl-,(4S)-
    • (S)-4-methyl-1-hexanol
    • MFCD00221492
    • 4-Methyl-1-hexanol #
    • (S)-4-methyl-hexan-1-ol
    • SCHEMBL2331155
    • DTXSID20541465
    • CHEBI:211101
    • AKOS015840015
    • AKOS015911839
    • FM60300
    • BS-21816
    • M0964
    • T71938

  • Applications

    Chemical name: (S)-(+)-4-Methyl-1-hexanol; CAS number: 1767-46-0 is a chiral aliphatic alcohol used as a building block in fragrance and flavor chemistry; it may serve as a solvent or intermediate in organic synthesis and can function as a fragrance component in cosmetics and personal care formulations; it is also relevant in coatings and inks as a processing solvent or precursor to aroma-containing esters; in polymers and plastics it can be converted to esters or used to prepare specialty monomers or plasticizers; and in industrial manufacturing it serves as an intermediate for the preparation of chiral reagents. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3283.75
    methanol 1543.65
    isopropanol 3240.45
    water 0.92
    ethyl acetate 1007.44
    n-propanol 2887.55
    acetone 1470.6
    n-butanol 2875.47
    acetonitrile 1028.07
    DMF 916.0
    toluene 240.06
    isobutanol 2050.16
    1,4-dioxane 1789.88
    methyl acetate 806.1
    THF 3237.14
    2-butanone 1158.06
    n-pentanol 1251.79
    sec-butanol 2234.85
    n-hexane 212.51
    ethylene glycol 409.8
    NMP 611.67
    cyclohexane 313.7
    DMSO 1659.54
    n-butyl acetate 1461.54
    n-octanol 493.46
    chloroform 1856.75
    n-propyl acetate 576.66
    acetic acid 1290.72
    dichloromethane 1620.14
    cyclohexanone 1637.66
    propylene glycol 799.64
    isopropyl acetate 539.22
    DMAc 378.99
    2-ethoxyethanol 947.89
    isopentanol 1975.98
    n-heptane 368.24
    ethyl formate 785.16
    1,2-dichloroethane 1004.61
    n-hexanol 2460.27
    2-methoxyethanol 2069.31
    isobutyl acetate 342.87
    tetrachloromethane 443.19
    n-pentyl acetate 458.13
    transcutol 1842.79
    n-heptanol 708.87
    ethylbenzene 127.46
    MIBK 514.05
    2-propoxyethanol 1960.72
    tert-butanol 3182.56
    MTBE 1299.25
    2-butoxyethanol 894.1
    propionic acid 1153.36
    o-xylene 151.4
    formic acid 242.8
    diethyl ether 1145.67
    m-xylene 178.79
    p-xylene 162.34
    chlorobenzene 367.23
    dimethyl carbonate 105.02
    n-octane 77.12
    formamide 299.59
    cyclopentanone 1616.52
    2-pentanone 1027.94
    anisole 278.01
    cyclopentyl methyl ether 1063.12
    gamma-butyrolactone 1443.2
    1-methoxy-2-propanol 1663.65
    pyridine 941.65
    3-pentanone 477.57
    furfural 917.04
    n-dodecane 41.31
    diethylene glycol 1010.35
    diisopropyl ether 314.19
    tert-amyl alcohol 1700.4
    acetylacetone 638.72
    n-hexadecane 45.7
    acetophenone 220.21
    methyl propionate 537.67
    isopentyl acetate 1031.49
    trichloroethylene 1389.96
    n-nonanol 393.24
    cyclohexanol 1595.37
    benzyl alcohol 296.39
    2-ethylhexanol 1167.91
    isooctanol 488.43
    dipropyl ether 1252.83
    1,2-dichlorobenzene 288.32
    ethyl lactate 220.8
    propylene carbonate 724.23
    n-methylformamide 700.31
    2-pentanol 1510.69
    n-pentane 237.94
    1-propoxy-2-propanol 1685.54
    1-methoxy-2-propyl acetate 726.36
    2-(2-methoxypropoxy) propanol 419.77
    mesitylene 121.46
    ε-caprolactone 1159.55
    p-cymene 187.06
    epichlorohydrin 1656.91
    1,1,1-trichloroethane 998.43
    2-aminoethanol 1126.89
    morpholine-4-carbaldehyde 860.83
    sulfolane 1213.25
    2,2,4-trimethylpentane 103.26
    2-methyltetrahydrofuran 2419.17
    n-hexyl acetate 559.46
    isooctane 98.34
    2-(2-butoxyethoxy)ethanol 724.91
    sec-butyl acetate 332.5
    tert-butyl acetate 519.43
    decalin 88.35
    glycerin 695.7
    diglyme 1190.63
    acrylic acid 640.62
    isopropyl myristate 195.61
    n-butyric acid 2340.01
    acetyl acetate 343.14
    di(2-ethylhexyl) phthalate 166.99
    ethyl propionate 388.85
    nitromethane 1097.27
    1,2-diethoxyethane 890.12
    benzonitrile 457.19
    trioctyl phosphate 171.46
    1-bromopropane 985.29
    gamma-valerolactone 1718.83
    n-decanol 284.28
    triethyl phosphate 200.39
    4-methyl-2-pentanol 652.74
    propionitrile 1133.75
    vinylene carbonate 547.53
    1,1,2-trichlorotrifluoroethane 876.03
    DMS 204.54
    cumene 98.74
    2-octanol 382.81
    2-hexanone 649.3
    octyl acetate 249.3
    limonene 414.14
    1,2-dimethoxyethane 1323.82
    ethyl orthosilicate 225.93
    tributyl phosphate 187.88
    diacetone alcohol 778.9
    N,N-dimethylaniline 157.56
    acrylonitrile 896.28
    aniline 459.46
    1,3-propanediol 1695.74
    bromobenzene 342.49
    dibromomethane 1287.0
    1,1,2,2-tetrachloroethane 1113.58
    2-methyl-cyclohexyl acetate 396.47
    tetrabutyl urea 213.58
    diisobutyl methanol 503.69
    2-phenylethanol 495.12
    styrene 157.33
    dioctyl adipate 255.79
    dimethyl sulfate 154.15
    ethyl butyrate 804.96
    methyl lactate 268.83
    butyl lactate 363.16
    diethyl carbonate 361.55
    propanediol butyl ether 639.64
    triethyl orthoformate 479.19
    p-tert-butyltoluene 189.55
    methyl 4-tert-butylbenzoate 254.23
    morpholine 2472.55
    tert-butylamine 1975.44
    n-dodecanol 210.6
    dimethoxymethane 626.01
    ethylene carbonate 541.04
    cyrene 263.03
    2-ethoxyethyl acetate 453.65
    2-ethylhexyl acetate 717.33
    1,2,4-trichlorobenzene 326.64
    4-methylpyridine 808.83
    dibutyl ether 562.16
    2,6-dimethyl-4-heptanol 503.69
    DEF 755.45
    dimethyl isosorbide 597.37
    tetrachloroethylene 755.99
    eugenol 265.79
    triacetin 294.98
    span 80 557.38
    1,4-butanediol 484.16
    1,1-dichloroethane 1335.53
    2-methyl-1-pentanol 846.85
    methyl formate 390.07
    2-methyl-1-butanol 1639.84
    n-decane 74.62
    butyronitrile 1712.26
    3,7-dimethyl-1-octanol 477.4
    1-chlorooctane 251.69
    1-chlorotetradecane 87.48
    n-nonane 82.92
    undecane 53.25
    tert-butylcyclohexane 100.29
    cyclooctane 88.11
    cyclopentanol 1908.87
    tetrahydropyran 2627.42
    tert-amyl methyl ether 702.93
    2,5,8-trioxanonane 666.12
    1-hexene 607.1
    2-isopropoxyethanol 634.71
    2,2,2-trifluoroethanol 227.69
    methyl butyrate 636.4

    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