1-Hexanol

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  • Identifiers

    CAS number
    111-27-3

    Molecular formula
    C6H14O

    SMILES
    CCCCCCO

    Retention indicies (RI)

    • DB5: 869.0
    • Carbowax: 1353.14

  • Odor profile

    Green 84.71%
    Sweet 82.32%
    Oily 75.74%
    Fruity 74.49%
    Herbal 69.61%
    Fatty 64.64%
    Fermented 61.81%
    Alcoholic 60.05%
    Musty 58.31%
    Winey 56.93%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.81 (weak base)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    158°C

    Flash point est.
    59.81 ˚C

  • Applications

    Hexyl alcohol (1-hexanol, CAS 111-27-3) is a straight-chain six-carbon alkanol widely employed as a medium-polarity solvent in paints, printing inks and adhesives; as an evaporation retarder in flexographic and gravure inks; as a denaturant for ethanol; as a precursor for esterification to produce flavor and fragrance esters such as hexyl acetate and hexyl butyrate; as an intermediate in the manufacture of surfactants, PVC plasticizers, synthetic lubricants and fuel additives; as an extraction solvent in pharmaceutical, food and liquid-liquid analytical processes; as a humectant component in cosmetics, lotions and hair-care formulations; as a starting reagent for synthesizing pesticides, fungicides and caprolactam derivatives; additionally used in rubber processing, textile dyeing and printing, cement additives, metalworking-fluid reclamation and as an internal standard in GC analysis for biological research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6749.7
    methanol 4321.7
    isopropanol 5760.81
    water 1.13
    ethyl acetate 1597.37
    n-propanol 5281.08
    acetone 3071.85
    n-butanol 5540.73
    acetonitrile 1756.73
    DMF 1985.37
    toluene 326.33
    isobutanol 3550.26
    1,4-dioxane 2641.33
    methyl acetate 1176.63
    THF 5393.86
    2-butanone 1715.22
    n-pentanol 2200.8
    sec-butanol 3561.09
    n-hexane 593.63
    ethylene glycol 795.1
    NMP 1284.06
    cyclohexane 810.86
    DMSO 4035.01
    n-butyl acetate 2377.58
    n-octanol 877.01
    chloroform 3256.78
    n-propyl acetate 1040.8
    acetic acid 2882.87
    dichloromethane 3216.34
    cyclohexanone 2859.43
    propylene glycol 1292.97
    isopropyl acetate 843.0
    DMAc 622.93
    2-ethoxyethanol 1562.79
    isopentanol 3220.2
    n-heptane 972.99
    ethyl formate 1331.9
    1,2-dichloroethane 1865.15
    n-hexanol 3632.04
    2-methoxyethanol 3633.26
    isobutyl acetate 549.57
    tetrachloromethane 707.17
    n-pentyl acetate 834.04
    transcutol 3050.04
    n-heptanol 1135.03
    ethylbenzene 180.83
    MIBK 819.39
    2-propoxyethanol 2772.56
    tert-butanol 4549.93
    MTBE 1670.31
    2-butoxyethanol 1309.2
    propionic acid 2278.8
    o-xylene 194.98
    formic acid 535.94
    diethyl ether 2056.79
    m-xylene 227.49
    p-xylene 237.03
    chlorobenzene 592.83
    dimethyl carbonate 194.16
    n-octane 177.45
    formamide 684.82
    cyclopentanone 2807.4
    2-pentanone 1792.43
    anisole 379.84
    cyclopentyl methyl ether 1849.92
    gamma-butyrolactone 2607.26
    1-methoxy-2-propanol 2627.06
    pyridine 1580.39
    3-pentanone 786.11
    furfural 1560.94
    n-dodecane 86.28
    diethylene glycol 1464.7
    diisopropyl ether 493.34
    tert-amyl alcohol 2325.77
    acetylacetone 1066.44
    n-hexadecane 94.43
    acetophenone 321.35
    methyl propionate 896.96
    isopentyl acetate 1513.35
    trichloroethylene 2467.12
    n-nonanol 676.98
    cyclohexanol 2833.57
    benzyl alcohol 433.8
    2-ethylhexanol 1846.67
    isooctanol 758.12
    dipropyl ether 2308.63
    1,2-dichlorobenzene 458.56
    ethyl lactate 344.65
    propylene carbonate 1243.13
    n-methylformamide 1504.84
    2-pentanol 2844.56
    n-pentane 659.46
    1-propoxy-2-propanol 2523.63
    1-methoxy-2-propyl acetate 982.01
    2-(2-methoxypropoxy) propanol 568.66
    mesitylene 148.43
    ε-caprolactone 1997.98
    p-cymene 272.73
    epichlorohydrin 2524.39
    1,1,1-trichloroethane 1467.33
    2-aminoethanol 2031.34
    morpholine-4-carbaldehyde 1392.89
    sulfolane 2425.69
    2,2,4-trimethylpentane 157.9
    2-methyltetrahydrofuran 3729.85
    n-hexyl acetate 986.13
    isooctane 153.61
    2-(2-butoxyethoxy)ethanol 1044.18
    sec-butyl acetate 511.21
    tert-butyl acetate 758.1
    decalin 167.48
    glycerin 1146.85
    diglyme 1816.4
    acrylic acid 1243.78
    isopropyl myristate 337.98
    n-butyric acid 4323.42
    acetyl acetate 565.72
    di(2-ethylhexyl) phthalate 250.21
    ethyl propionate 671.52
    nitromethane 2380.07
    1,2-diethoxyethane 1420.58
    benzonitrile 671.38
    trioctyl phosphate 274.05
    1-bromopropane 1767.77
    gamma-valerolactone 2813.76
    n-decanol 457.52
    triethyl phosphate 295.91
    4-methyl-2-pentanol 1012.89
    propionitrile 1852.61
    vinylene carbonate 919.09
    1,1,2-trichlorotrifluoroethane 1432.06
    DMS 341.99
    cumene 137.91
    2-octanol 650.27
    2-hexanone 1104.41
    octyl acetate 424.17
    limonene 664.62
    1,2-dimethoxyethane 2213.05
    ethyl orthosilicate 327.65
    tributyl phosphate 319.2
    diacetone alcohol 1068.33
    N,N-dimethylaniline 227.69
    acrylonitrile 1568.37
    aniline 682.63
    1,3-propanediol 3064.78
    bromobenzene 532.46
    dibromomethane 2543.95
    1,1,2,2-tetrachloroethane 1946.33
    2-methyl-cyclohexyl acetate 615.95
    tetrabutyl urea 388.56
    diisobutyl methanol 779.86
    2-phenylethanol 667.83
    styrene 246.89
    dioctyl adipate 440.62
    dimethyl sulfate 278.02
    ethyl butyrate 1396.98
    methyl lactate 440.74
    butyl lactate 598.16
    diethyl carbonate 572.12
    propanediol butyl ether 1028.57
    triethyl orthoformate 751.67
    p-tert-butyltoluene 260.69
    methyl 4-tert-butylbenzoate 372.08
    morpholine 3833.67
    tert-butylamine 3071.12
    n-dodecanol 343.55
    dimethoxymethane 1170.03
    ethylene carbonate 934.73
    cyrene 371.54
    2-ethoxyethyl acetate 685.88
    2-ethylhexyl acetate 1084.81
    1,2,4-trichlorobenzene 481.95
    4-methylpyridine 1222.51
    dibutyl ether 1179.52
    2,6-dimethyl-4-heptanol 779.86
    DEF 1360.84
    dimethyl isosorbide 841.13
    tetrachloroethylene 1443.96
    eugenol 402.66
    triacetin 465.28
    span 80 860.44
    1,4-butanediol 845.52
    1,1-dichloroethane 2069.47
    2-methyl-1-pentanol 1292.15
    methyl formate 786.61
    2-methyl-1-butanol 2611.88
    n-decane 161.92
    butyronitrile 2915.41
    3,7-dimethyl-1-octanol 724.66
    1-chlorooctane 473.67
    1-chlorotetradecane 160.61
    n-nonane 186.43
    undecane 112.5
    tert-butylcyclohexane 165.48
    cyclooctane 202.09
    cyclopentanol 3592.49
    tetrahydropyran 4330.07
    tert-amyl methyl ether 923.45
    2,5,8-trioxanonane 985.02
    1-hexene 1359.66
    2-isopropoxyethanol 932.71
    2,2,2-trifluoroethanol 435.45
    methyl butyrate 1152.02

    Scent© AI

1 3

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
Basil 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Comoro Islands) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.03%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.13%
Eugenia javanica Eugenia javanica Lamk., fam. Myrtaceae 0.6%
Fern, sweet 1 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.15%
Fern, sweet 2 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.17%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.04%
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Narcissus tazetta absolute 3 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 1.14%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.1%
Palmarosa (India) 4 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.05%
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.05%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.23%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.15%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Spike lavender (Spain) 2 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.05%
Tea Tree (Australia) 1 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.01%
Yuzu (Japan) 1 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.37%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.09%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 3.17%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.14%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Synedrella nodiflora leaf (Fiji) Synedrella nodiflora (L.) 2.01%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 3.2%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.23%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 0.04%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Citronella ceylon 1 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.1%
Basil (Taiwan), leaf 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Taiwan), flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Taiwan), stem 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Basil (Taiwan), whole plant 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Taiwan) leaf & flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.04%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.02%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.19%
Rose (Turkey) 3 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.5%