2-Hexanol

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  • Identifiers

    CAS number
    626-93-7

    Molecular formula
    C6H14O

    SMILES
    CCCCC(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1202.33

  • Odor profile

    Green 89.34%
    Fruity 80.35%
    Oily 74.53%
    Fermented 70.04%
    Alcoholic 67.69%
    Winey 58.9%
    Herbal 56.62%
    Fatty 56.25%
    Musty 56.11%
    Sweet 55.96%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 136 °C

    Flash point est.
    41.54 ˚C

    Flash point expt.

    • 41 °C

    Solubility expt.

    • Solubility in water: poor

  • Synonyms

    • 2-HEXANOL
    • hexan-2-ol
    • 626-93-7
    • 2-Hydroxyhexane
    • 2-Hexyl Alcohol
    • (+/-)-2-Hexanol
    • Butyl methyl carbinol
    • MFCD00004585
    • n-C4H9CH(OH)CH3
    • 9CDT0V6T4P
    • 54972-97-3
    • CHEBI:88370
    • NSC-3706
    • 2-Hexanol, (S)-
    • Hexan-2-ol; 2-Hexanol
    • 69203-06-1
    • sec-Hexanol
    • s-(+)-2-hexanol
    • Pentanol, methyl-
    • n-Butylmethylcarbinol
    • 1-Pentanol, methyl-
    • NSC 3706
    • EINECS 210-971-4
    • BRN 1718996
    • 2-aHexanol
    • n-Hexan-2-ol
    • Hexanol-(2)
    • (RS)-2-hexanol
    • 2-Hexanol, 99%
    • METHYLBUTYLCARBINOL
    • DL-HEXAN-2-OL
    • UNII-9CDT0V6T4P
    • 2-Hexanol, >=98%
    • SCHEMBL15074
    • 37769-60-1
    • 4-01-00-01708 (Beilstein Handbook Reference)
    • CHEMBL45425
    • 1-PENTANOL , METHYL-
    • 2-Hexanol, analytical standard
    • 2-Hexanol, (.+/-.)-
    • DTXSID30893088
    • NSC3706
    • LMFA05000467
    • AKOS009156480
    • (+/-)-1-METHYL-1-PENTANOL
    • BS-22913
    • DB-016694
    • DB-323114
    • H0131
    • NS00012563
    • EN300-107421
    • Q77003
    • 20281-86-1

  • Applications

    2-Hexanol (CAS 626-93-7) is a straight-chain secondary alcohol of moderate polarity used widely as a solvent/co-solvent for resins, coatings, printing inks, oils, greases, and waxes; as an intermediate for esterification to 2-hexyl esters (e.g., 2-hexyl acetate) for fragrance/cosmetic use and as solvents, and in the manufacture of surfactants/wetting agents, lubricant additives, and other fine chemicals; it finds use in extraction processes, as a coalescing/coupling agent in latex emulsions and adhesives, and as a carrier in agrochemical formulations; in research and analysis it serves as a GC/LC reference or internal standard, a chiral probe, and a model substrate for oxidation or dehydration (yielding 2-hexanone or hexenes), as well as a building block for functional derivatives; it also occurs naturally at trace levels in foods and essential oils and is sometimes employed to impart or tune “green, grassy, fruity” notes, with use subject to flammability, safety, and occupational exposure controls.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1315.9
    methanol 1319.98
    isopropanol 1282.96
    water 2.45
    ethyl acetate 299.17
    n-propanol 1153.71
    acetone 542.0
    n-butanol 1158.63
    acetonitrile 309.13
    DMF 454.52
    toluene 107.04
    isobutanol 866.95
    1,4-dioxane 606.88
    methyl acetate 295.08
    THF 1089.92
    2-butanone 436.21
    n-pentanol 654.2
    sec-butanol 1045.28
    n-hexane 293.35
    ethylene glycol 321.4
    NMP 421.84
    cyclohexane 171.93
    DMSO 617.06
    n-butyl acetate 520.54
    n-octanol 402.45
    chloroform 744.2
    n-propyl acetate 230.47
    acetic acid 526.33
    dichloromethane 423.16
    cyclohexanone 600.95
    propylene glycol 573.8
    isopropyl acetate 216.36
    DMAc 284.13
    2-ethoxyethanol 484.76
    isopentanol 827.78
    n-heptane 254.73
    ethyl formate 206.43
    1,2-dichloroethane 258.37
    n-hexanol 1332.91
    2-methoxyethanol 877.12
    isobutyl acetate 179.99
    tetrachloromethane 192.21
    n-pentyl acetate 241.3
    transcutol 1012.61
    n-heptanol 458.99
    ethylbenzene 82.9
    MIBK 245.35
    2-propoxyethanol 1036.08
    tert-butanol 1357.82
    MTBE 664.5
    2-butoxyethanol 514.83
    propionic acid 533.86
    o-xylene 89.7
    formic acid 160.17
    diethyl ether 455.93
    m-xylene 106.48
    p-xylene 109.37
    chlorobenzene 161.61
    dimethyl carbonate 57.53
    n-octane 71.58
    formamide 115.97
    cyclopentanone 631.43
    2-pentanone 376.11
    anisole 160.58
    cyclopentyl methyl ether 469.97
    gamma-butyrolactone 518.99
    1-methoxy-2-propanol 733.49
    pyridine 342.59
    3-pentanone 217.5
    furfural 397.31
    n-dodecane 43.81
    diethylene glycol 614.27
    diisopropyl ether 168.12
    tert-amyl alcohol 938.34
    acetylacetone 249.31
    n-hexadecane 46.4
    acetophenone 137.75
    methyl propionate 214.06
    isopentyl acetate 434.14
    trichloroethylene 438.25
    n-nonanol 315.34
    cyclohexanol 691.36
    benzyl alcohol 189.02
    2-ethylhexanol 631.64
    isooctanol 328.67
    dipropyl ether 532.16
    1,2-dichlorobenzene 148.4
    ethyl lactate 143.65
    propylene carbonate 288.56
    n-methylformamide 277.02
    2-pentanol 740.2
    n-pentane 199.15
    1-propoxy-2-propanol 911.01
    1-methoxy-2-propyl acetate 332.77
    2-(2-methoxypropoxy) propanol 320.99
    mesitylene 79.14
    ε-caprolactone 442.57
    p-cymene 109.06
    epichlorohydrin 460.2
    1,1,1-trichloroethane 325.17
    2-aminoethanol 661.31
    morpholine-4-carbaldehyde 436.9
    sulfolane 589.48
    2,2,4-trimethylpentane 86.68
    2-methyltetrahydrofuran 842.69
    n-hexyl acetate 373.14
    isooctane 82.95
    2-(2-butoxyethoxy)ethanol 483.03
    sec-butyl acetate 155.16
    tert-butyl acetate 256.51
    decalin 74.14
    glycerin 527.01
    diglyme 644.58
    acrylic acid 345.09
    isopropyl myristate 147.77
    n-butyric acid 748.95
    acetyl acetate 144.06
    di(2-ethylhexyl) phthalate 135.51
    ethyl propionate 162.18
    nitromethane 365.06
    1,2-diethoxyethane 361.81
    benzonitrile 222.79
    trioctyl phosphate 129.03
    1-bromopropane 351.92
    gamma-valerolactone 605.28
    n-decanol 230.18
    triethyl phosphate 108.24
    4-methyl-2-pentanol 385.5
    propionitrile 417.7
    vinylene carbonate 221.13
    1,1,2-trichlorotrifluoroethane 413.2
    DMS 137.23
    cumene 78.54
    2-octanol 288.14
    2-hexanone 327.85
    octyl acetate 184.27
    limonene 223.04
    1,2-dimethoxyethane 601.95
    ethyl orthosilicate 122.02
    tributyl phosphate 139.66
    diacetone alcohol 388.16
    N,N-dimethylaniline 119.05
    acrylonitrile 329.2
    aniline 207.55
    1,3-propanediol 759.27
    bromobenzene 148.4
    dibromomethane 390.43
    1,1,2,2-tetrachloroethane 450.44
    2-methyl-cyclohexyl acetate 231.18
    tetrabutyl urea 165.75
    diisobutyl methanol 289.89
    2-phenylethanol 290.94
    styrene 96.45
    dioctyl adipate 173.59
    dimethyl sulfate 92.49
    ethyl butyrate 271.2
    methyl lactate 176.91
    butyl lactate 247.38
    diethyl carbonate 142.46
    propanediol butyl ether 510.99
    triethyl orthoformate 210.9
    p-tert-butyltoluene 116.29
    methyl 4-tert-butylbenzoate 191.62
    morpholine 807.78
    tert-butylamine 926.57
    n-dodecanol 176.32
    dimethoxymethane 271.01
    ethylene carbonate 199.24
    cyrene 204.48
    2-ethoxyethyl acetate 223.68
    2-ethylhexyl acetate 332.83
    1,2,4-trichlorobenzene 170.05
    4-methylpyridine 314.83
    dibutyl ether 337.15
    2,6-dimethyl-4-heptanol 289.89
    DEF 302.49
    dimethyl isosorbide 394.29
    tetrachloroethylene 320.88
    eugenol 207.67
    triacetin 224.56
    span 80 413.02
    1,4-butanediol 319.13
    1,1-dichloroethane 405.95
    2-methyl-1-pentanol 484.01
    methyl formate 153.17
    2-methyl-1-butanol 756.44
    n-decane 79.77
    butyronitrile 515.06
    3,7-dimethyl-1-octanol 366.63
    1-chlorooctane 198.62
    1-chlorotetradecane 78.38
    n-nonane 87.43
    undecane 55.54
    tert-butylcyclohexane 94.32
    cyclooctane 65.43
    cyclopentanol 785.88
    tetrahydropyran 829.51
    tert-amyl methyl ether 417.22
    2,5,8-trioxanonane 450.38
    1-hexene 520.65
    2-isopropoxyethanol 379.04
    2,2,2-trifluoroethanol 118.89
    methyl butyrate 251.03

    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
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.5%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Calamintha nepeta (Turkey) 2 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 0.02%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Terminalia bentzoe Terminalia bentzoe (L.) L.f.ssp.rodriguesensis Wickens, fam. Combretaceae 0.34%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 1.9%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.05%
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.01%
Pepper, black (India) 4 8006-82-4 Piper nigrum L., fam. Piperaceae 0.04%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%