2-Pentanol

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  • Identifiers

    CAS number
    6032-29-7

    Molecular formula
    C5H12O

    SMILES
    CCCC(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1112.14

  • Odor profile

    Alcoholic 80.24%
    Green 79.64%
    Fermented 74.73%
    Fruity 69.08%
    Oily 68.89%
    Ethereal 65.69%
    Winey 64.45%
    Sweet 60.38%
    Solvent 60.15%
    Musty 53.64%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    119°C

    Melting point expt.

    • -73 °C

    Flash point est.
    29.72 ˚C

    Solubility expt.

    • 44.6 mg/mL at 25 °C

  • Synonyms

    • 2-PENTANOL
    • Pentan-2-ol
    • 6032-29-7
    • Methylpropylcarbinol
    • sec-Amyl alcohol
    • sec-Pentanol
    • sec-Pentyl alcohol
    • 2-Pentyl alcohol
    • 2-Hydroxypentane
    • 1-Methyl-1-butanol
    • Pentanol-2
    • Methyl propyl carbinol
    • alpha-Methylbutanol
    • 1-Methylbutanol
    • Methylbutan-1-ol
    • (+/-)-2-Pentanol
    • Isoamyl alcohol, secondary
    • sec-n-Amyl alcohol
    • FEMA No. 3316
    • Methyl butanol
    • n-C3H7CH(OH)CH3
    • Isoamyl alcohol (primary/secondary
    • 26635-63-2
    • CHEBI:77518
    • s-(+)-2-pentanol
    • Pentan-2-ol; 2-Pentanol
    • Pentanol, sec-
    • 51000-78-3
    • 04G7050365
    • Butanol, methyl-
    • EINECS 227-907-6
    • BRN 1718819
    • methylbutanol
    • methyl-butanol
    • AI3-37255
    • MFCD00065952
    • MFCD00065953
    • DL-2-Pentanol
    • racemic 2-pentanol
    • EINECS 256-810-1
    • MFCD00004579
    • UNII-04G7050365
    • (?)-2-Pentanol
    • 2-Pentanol, 98%
    • 2-PENTANOL [MI]
    • EC 700-266-4
    • (R)-(?)-2-Pentanol
    • 2-PENTANOL [FHFI]
    • 4-01-00-01656 (Beilstein Handbook Reference)
    • 50858-14-5
    • Butyl, 1-hydroxy-1-methyl-
    • CHEMBL45065
    • 2-Pentanol, analytical standard
    • 2-Pentanol, >=98%, FG
    • DTXSID3052721
    • FEMA 3316
    • DTXSID401311836
    • BBL011460
    • STL146572
    • AKOS000249483
    • AKOS022060646
    • ( inverted exclamation markA)-2-Pentanol
    • SY045083
    • DB-016766
    • NS00007533
    • P0056
    • EN300-93564
    • (+/-)-2-Pentanol, purum, >=98.0% (GC)
    • Q210479
    • F8881-2971
    • InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H
    • 33968-72-8

  • Applications

    2-Pentanol (CAS 6032-29-7) is a straight-chain secondary alcohol appearing as a clear liquid with a mild characteristic odor whose balanced volatility, strong solvency and ready esterification give it wide utility: in paints and printing inks it acts as an intermediate solvent and coalescent for nitrocellulose, alkyd and acrylic resins, promoting smooth film formation, higher gloss and durability; in flavours and fragrances it is esterified to fruity pentyl esters such as pentyl acetate and pentyl butyrate used in confectionery, beverages and chewable pharmaceuticals; in organic synthesis it functions as a mild reducing or protecting reagent and as a precursor for 2-pentanone, pentenes and chiral building blocks when optical isomers are employed; in pharmaceuticals it serves as a low-toxicity carrier solvent and stabilizer for injectable and antiseptic formulations; in agrochemicals and petroleum additives it contributes defoaming, dispersing and cetane-enhancing properties; moreover, its moderate evaporation rate and low toxicity make it an efficient extraction solvent for chromatographic analysis, resin and essential oil recovery, an ethanol denaturant and an intermediate for surfactant manufacture.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3371.24
    methanol 4121.06
    isopropanol 2194.73
    water 12.58
    ethyl acetate 600.59
    n-propanol 2244.89
    acetone 1000.97
    n-butanol 2153.84
    acetonitrile 672.37
    DMF 569.64
    toluene 119.6
    isobutanol 1376.59
    1,4-dioxane 1182.16
    methyl acetate 483.82
    THF 2107.59
    2-butanone 668.04
    n-pentanol 1089.3
    sec-butanol 1618.84
    n-hexane 474.75
    ethylene glycol 586.63
    NMP 666.15
    cyclohexane 336.37
    DMSO 785.6
    n-butyl acetate 932.59
    n-octanol 571.36
    chloroform 965.02
    n-propyl acetate 401.03
    acetic acid 1639.91
    dichloromethane 643.64
    cyclohexanone 992.08
    propylene glycol 790.27
    isopropyl acetate 354.74
    DMAc 332.5
    2-ethoxyethanol 821.12
    isopentanol 1242.8
    n-heptane 465.37
    ethyl formate 420.62
    1,2-dichloroethane 386.94
    n-hexanol 2008.33
    2-methoxyethanol 1565.91
    isobutyl acetate 263.15
    tetrachloromethane 290.76
    n-pentyl acetate 384.78
    transcutol 1924.12
    n-heptanol 635.3
    ethylbenzene 71.61
    MIBK 314.99
    2-propoxyethanol 1615.37
    tert-butanol 1820.32
    MTBE 891.26
    2-butoxyethanol 717.31
    propionic acid 1067.43
    o-xylene 89.14
    formic acid 647.56
    diethyl ether 966.56
    m-xylene 99.91
    p-xylene 104.39
    chlorobenzene 195.02
    dimethyl carbonate 70.36
    n-octane 103.34
    formamide 401.85
    cyclopentanone 990.0
    2-pentanone 611.13
    anisole 176.15
    cyclopentyl methyl ether 788.85
    gamma-butyrolactone 910.05
    1-methoxy-2-propanol 974.61
    pyridine 509.87
    3-pentanone 346.39
    furfural 573.83
    n-dodecane 60.47
    diethylene glycol 992.62
    diisopropyl ether 271.1
    tert-amyl alcohol 1232.36
    acetylacetone 365.44
    n-hexadecane 64.09
    acetophenone 147.61
    methyl propionate 346.7
    isopentyl acetate 657.73
    trichloroethylene 594.83
    n-nonanol 452.24
    cyclohexanol 1174.45
    benzyl alcohol 212.59
    2-ethylhexanol 961.76
    isooctanol 437.0
    dipropyl ether 858.29
    1,2-dichlorobenzene 163.14
    ethyl lactate 163.57
    propylene carbonate 451.49
    n-methylformamide 528.69
    2-pentanol 1146.1
    n-pentane 384.43
    1-propoxy-2-propanol 1311.01
    1-methoxy-2-propyl acetate 479.75
    2-(2-methoxypropoxy) propanol 399.88
    mesitylene 70.43
    ε-caprolactone 792.6
    p-cymene 123.91
    epichlorohydrin 706.27
    1,1,1-trichloroethane 407.78
    2-aminoethanol 1155.84
    morpholine-4-carbaldehyde 667.29
    sulfolane 808.26
    2,2,4-trimethylpentane 124.55
    2-methyltetrahydrofuran 1574.58
    n-hexyl acetate 554.11
    isooctane 98.77
    2-(2-butoxyethoxy)ethanol 692.03
    sec-butyl acetate 248.94
    tert-butyl acetate 357.35
    decalin 95.78
    glycerin 779.03
    diglyme 872.83
    acrylic acid 653.39
    isopropyl myristate 194.16
    n-butyric acid 1518.1
    acetyl acetate 274.08
    di(2-ethylhexyl) phthalate 166.77
    ethyl propionate 256.72
    nitromethane 837.95
    1,2-diethoxyethane 687.09
    benzonitrile 265.71
    trioctyl phosphate 154.6
    1-bromopropane 492.59
    gamma-valerolactone 942.23
    n-decanol 318.57
    triethyl phosphate 131.94
    4-methyl-2-pentanol 469.5
    propionitrile 640.63
    vinylene carbonate 310.99
    1,1,2-trichlorotrifluoroethane 599.44
    DMS 185.61
    cumene 70.72
    2-octanol 393.78
    2-hexanone 517.12
    octyl acetate 258.9
    limonene 292.91
    1,2-dimethoxyethane 916.42
    ethyl orthosilicate 155.73
    tributyl phosphate 181.04
    diacetone alcohol 453.04
    N,N-dimethylaniline 115.05
    acrylonitrile 453.94
    aniline 281.58
    1,3-propanediol 1436.7
    bromobenzene 149.29
    dibromomethane 544.51
    1,1,2,2-tetrachloroethane 536.07
    2-methyl-cyclohexyl acetate 311.35
    tetrabutyl urea 208.59
    diisobutyl methanol 370.53
    2-phenylethanol 362.78
    styrene 90.26
    dioctyl adipate 227.41
    dimethyl sulfate 95.59
    ethyl butyrate 429.39
    methyl lactate 207.95
    butyl lactate 327.36
    diethyl carbonate 194.83
    propanediol butyl ether 629.45
    triethyl orthoformate 297.73
    p-tert-butyltoluene 121.0
    methyl 4-tert-butylbenzoate 213.42
    morpholine 1470.01
    tert-butylamine 1243.5
    n-dodecanol 237.44
    dimethoxymethane 393.09
    ethylene carbonate 325.84
    cyrene 249.04
    2-ethoxyethyl acetate 358.22
    2-ethylhexyl acetate 516.85
    1,2,4-trichlorobenzene 186.89
    4-methylpyridine 425.73
    dibutyl ether 539.32
    2,6-dimethyl-4-heptanol 370.53
    DEF 473.48
    dimethyl isosorbide 512.03
    tetrachloroethylene 460.87
    eugenol 244.7
    triacetin 289.88
    span 80 530.24
    1,4-butanediol 512.31
    1,1-dichloroethane 482.12
    2-methyl-1-pentanol 709.92
    methyl formate 291.44
    2-methyl-1-butanol 1183.31
    n-decane 111.18
    butyronitrile 856.99
    3,7-dimethyl-1-octanol 499.61
    1-chlorooctane 267.09
    1-chlorotetradecane 102.92
    n-nonane 125.14
    undecane 77.88
    tert-butylcyclohexane 115.66
    cyclooctane 101.2
    cyclopentanol 1331.04
    tetrahydropyran 1587.75
    tert-amyl methyl ether 561.04
    2,5,8-trioxanonane 580.71
    1-hexene 782.02
    2-isopropoxyethanol 550.67
    2,2,2-trifluoroethanol 326.5
    methyl butyrate 389.18

    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
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 7.0%
Alpinia katsumadai stem (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 0.1%
Alpinia katsumadai leaf (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 0.1%
Alpinia katsumadai seed (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 0.1%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 0.85%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.5%