(3R)-hexan-3-ol

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  • Identifiers

    CAS number
    13471-42-6

    Molecular formula
    C6H14O

    SMILES
    CCC[C@@H](CC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.94%
    Green 82.59%
    Fermented 71.97%
    Alcoholic 65.45%
    Oily 64.29%
    Ethereal 60.81%
    Sweet 57.33%
    Winey 56.89%
    Herbal 52.11%
    Pungent 50.43%

     

    Flavor
    Fusel 44.48%
    Herbal 43.36%
    Alcoholic 43.31%
    Bitter 40.05%
    Sweet 37.97%
    Oil 35.76%
    Alcohol 34.14%
    Medicinal 33.74%
    Wine 32.79%
    Herb 31.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.45 (weak base)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    134°C

    Flash point

    • 39.56 ˚C est.

  • Synonyms

    • (3R)-hexan-3-ol
    • RefChem:1050254
    • 3-Hexanol, (R)-
    • 13471-42-6
    • (r)-hexan-3-ol
    • SCHEMBL464395
    • SCHEMBL7188375
    • MFCD31810851
    • SY408246
    • H27353
    • EN300-6762534
    • 13471-42-6

  • Applications

    (3R)-hexan-3-ol (CAS 13471-42-6) is primarily used as an intermediate and a chiral building block in organic synthesis. In perfumery and fragrance, it can serve as an odorant or fragrance note; in cosmetics and personal care, it may function as a fragrance ingredient. In household products, it can act as a solvent or processing aid in formulations. In industrial manufacturing, coatings, and inks, it is used as a solvent component or processing aid. In polymers and plastics, it may be used as a precursor for functionalized derivatives or as a processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2761.31
    methanol 2724.15
    isopropanol 2468.82
    water 1.8
    ethyl acetate 836.55
    n-propanol 2340.66
    acetone 1265.52
    n-butanol 2268.53
    acetonitrile 1049.81
    DMF 735.47
    toluene 255.1
    isobutanol 1721.42
    1,4-dioxane 1517.79
    methyl acetate 715.29
    THF 2680.19
    2-butanone 1072.95
    n-pentanol 1371.8
    sec-butanol 2095.79
    n-hexane 844.41
    ethylene glycol 311.75
    NMP 870.49
    cyclohexane 510.75
    DMSO 1253.46
    n-butyl acetate 1555.31
    n-octanol 808.82
    chloroform 2019.66
    n-propyl acetate 767.88
    acetic acid 1104.24
    dichloromethane 1483.32
    cyclohexanone 1474.78
    propylene glycol 575.91
    isopropyl acetate 548.78
    DMAc 445.52
    2-ethoxyethanol 957.91
    isopentanol 1708.86
    n-heptane 594.79
    ethyl formate 561.46
    1,2-dichloroethane 820.84
    n-hexanol 2162.94
    2-methoxyethanol 1427.79
    isobutyl acetate 518.01
    tetrachloromethane 576.26
    n-pentyl acetate 704.34
    transcutol 2072.87
    n-heptanol 851.16
    ethylbenzene 202.72
    MIBK 554.99
    2-propoxyethanol 1788.93
    tert-butanol 2566.25
    MTBE 1666.42
    2-butoxyethanol 940.97
    propionic acid 1086.71
    o-xylene 184.4
    formic acid 272.18
    diethyl ether 1402.33
    m-xylene 208.44
    p-xylene 276.34
    chlorobenzene 456.03
    dimethyl carbonate 103.63
    n-octane 188.73
    formamide 234.45
    cyclopentanone 1462.16
    2-pentanone 913.72
    anisole 352.18
    cyclopentyl methyl ether 1076.11
    gamma-butyrolactone 1338.44
    1-methoxy-2-propanol 1113.37
    pyridine 835.81
    3-pentanone 525.99
    furfural 872.17
    n-dodecane 107.84
    diethylene glycol 851.41
    diisopropyl ether 472.94
    tert-amyl alcohol 1831.53
    acetylacetone 555.55
    n-hexadecane 115.98
    acetophenone 303.98
    methyl propionate 479.69
    isopentyl acetate 1171.88
    trichloroethylene 1230.9
    n-nonanol 647.65
    cyclohexanol 1411.69
    benzyl alcohol 362.82
    2-ethylhexanol 1267.5
    isooctanol 688.7
    dipropyl ether 1328.07
    1,2-dichlorobenzene 399.25
    ethyl lactate 270.64
    propylene carbonate 682.48
    n-methylformamide 522.55
    2-pentanol 1483.4
    n-pentane 571.86
    1-propoxy-2-propanol 1651.75
    1-methoxy-2-propyl acetate 649.48
    2-(2-methoxypropoxy) propanol 511.48
    mesitylene 155.68
    ε-caprolactone 1139.41
    p-cymene 247.39
    epichlorohydrin 1151.71
    1,1,1-trichloroethane 969.89
    2-aminoethanol 807.91
    morpholine-4-carbaldehyde 780.68
    sulfolane 1371.64
    2,2,4-trimethylpentane 219.78
    2-methyltetrahydrofuran 2172.63
    n-hexyl acetate 892.7
    isooctane 197.51
    2-(2-butoxyethoxy)ethanol 822.46
    sec-butyl acetate 472.71
    tert-butyl acetate 598.69
    decalin 193.33
    glycerin 562.64
    diglyme 1208.99
    acrylic acid 638.75
    isopropyl myristate 334.16
    n-butyric acid 1679.77
    acetyl acetate 346.98
    di(2-ethylhexyl) phthalate 248.39
    ethyl propionate 455.51
    nitromethane 888.18
    1,2-diethoxyethane 1083.94
    benzonitrile 565.25
    trioctyl phosphate 247.25
    1-bromopropane 1078.71
    gamma-valerolactone 1293.31
    n-decanol 459.16
    triethyl phosphate 223.52
    4-methyl-2-pentanol 718.31
    propionitrile 1043.49
    vinylene carbonate 504.68
    1,1,2-trichlorotrifluoroethane 763.79
    DMS 269.02
    cumene 180.4
    2-octanol 623.73
    2-hexanone 934.9
    octyl acetate 400.79
    limonene 506.03
    1,2-dimethoxyethane 1433.64
    ethyl orthosilicate 260.03
    tributyl phosphate 289.19
    diacetone alcohol 662.22
    N,N-dimethylaniline 243.52
    acrylonitrile 793.49
    aniline 432.77
    1,3-propanediol 1175.73
    bromobenzene 442.25
    dibromomethane 1270.93
    1,1,2,2-tetrachloroethane 1151.85
    2-methyl-cyclohexyl acetate 522.82
    tetrabutyl urea 317.5
    diisobutyl methanol 586.46
    2-phenylethanol 533.7
    styrene 245.52
    dioctyl adipate 361.68
    dimethyl sulfate 164.58
    ethyl butyrate 785.76
    methyl lactate 257.92
    butyl lactate 518.1
    diethyl carbonate 363.06
    propanediol butyl ether 797.12
    triethyl orthoformate 503.57
    p-tert-butyltoluene 237.01
    methyl 4-tert-butylbenzoate 354.92
    morpholine 1804.78
    tert-butylamine 1953.7
    n-dodecanol 343.44
    dimethoxymethane 490.34
    ethylene carbonate 483.86
    cyrene 351.06
    2-ethoxyethyl acetate 551.74
    2-ethylhexyl acetate 908.29
    1,2,4-trichlorobenzene 436.61
    4-methylpyridine 773.86
    dibutyl ether 1030.26
    2,6-dimethyl-4-heptanol 586.46
    DEF 705.05
    dimethyl isosorbide 710.46
    tetrachloroethylene 865.66
    eugenol 369.34
    triacetin 433.7
    span 80 659.72
    1,4-butanediol 489.4
    1,1-dichloroethane 1144.02
    2-methyl-1-pentanol 1051.93
    methyl formate 317.61
    2-methyl-1-butanol 1528.33
    n-decane 204.86
    butyronitrile 1427.86
    3,7-dimethyl-1-octanol 780.65
    1-chlorooctane 502.77
    1-chlorotetradecane 183.49
    n-nonane 237.42
    undecane 141.58
    tert-butylcyclohexane 235.06
    cyclooctane 167.37
    cyclopentanol 1561.88
    tetrahydropyran 2180.95
    tert-amyl methyl ether 959.6
    2,5,8-trioxanonane 732.04
    1-hexene 1544.06
    2-isopropoxyethanol 740.81
    2,2,2-trifluoroethanol 228.88
    methyl butyrate 725.21

    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