2-Pentanol, 3-ethyl-

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  • Identifiers

    CAS number
    609-27-8

    Molecular formula
    C7H16O

    SMILES
    CCC(CC)C(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 61.68%
    Oily 57.28%
    Fermented 57.04%
    Green 54.63%
    Alcoholic 49.74%
    Sweet 43.99%
    Ethereal 42.28%
    Musty 39.82%
    Herbal 39.11%
    Solvent 36.66%

     

    Flavor
    Green 56.47%
    Fruity 43.79%
    Fresh 38.48%
    Oily 34.93%
    Floral 34.35%
    Herbal 33.27%
    Sweet 32.17%
    Mild 30.43%
    Citrus 30.12%
    Tropical 27.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.97 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    149°C

    Flash point

    • 51.38 ˚C est.

  • Synonyms

    • 3-Ethyl-2-pentanol
    • 2-Pentanol, 3-ethyl-
    • NSC 91502
    • BRN 1697141
    • DTXSID10883341
    • 2-01-00-00445 (Beilstein Handbook Reference)
    • RefChem:88966
    • DTXCID001022879
    • 622-947-4
    • NEHRITNOSGFGGS-UHFFFAOYSA-N
    • 3-ethylpentan-2-ol
    • 609-27-8
    • MFCD00021888
    • NSC91502
    • SCHEMBL428149
    • SCHEMBL2507702
    • SCHEMBL2507703
    • SCHEMBL3160759
    • SCHEMBL4393741
    • NSC-91502
    • AKOS011018863
    • PS-19228
    • F89632
    • 609-27-8

  • Applications

    2-Pentanol, 3-ethyl- (CAS 609-27-8) is primarily used as a solvent and an intermediate in organic synthesis; it serves as a building block for esters and fragrance-related compounds, and can function as a fragrance component or solvent carrier in cosmetics, personal care, and household cleaning formulations. It is also employed as a solvent for coatings, inks, and cleaning formulations in the coatings/inks and household product sectors. In industrial manufacturing, it is regarded as an intermediate for a range of organic products and may participate in polymer and plastic resin synthesis, depending on the process. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1984.13
    methanol 2307.24
    isopropanol 1498.06
    water 1.11
    ethyl acetate 752.31
    n-propanol 1644.01
    acetone 833.12
    n-butanol 1562.62
    acetonitrile 868.68
    DMF 404.9
    toluene 230.67
    isobutanol 1103.96
    1,4-dioxane 1798.32
    methyl acetate 605.39
    THF 2825.48
    2-butanone 814.09
    n-pentanol 884.82
    sec-butanol 1284.56
    n-hexane 680.49
    ethylene glycol 150.16
    NMP 747.64
    cyclohexane 668.53
    DMSO 703.0
    n-butyl acetate 1387.05
    n-octanol 487.96
    chloroform 1760.94
    n-propyl acetate 567.83
    acetic acid 850.89
    dichloromethane 1349.48
    cyclohexanone 1333.81
    propylene glycol 256.71
    isopropyl acetate 438.87
    DMAc 271.53
    2-ethoxyethanol 646.93
    isopentanol 1108.15
    n-heptane 544.82
    ethyl formate 507.14
    1,2-dichloroethane 846.74
    n-hexanol 1724.67
    2-methoxyethanol 1008.01
    isobutyl acetate 344.01
    tetrachloromethane 540.04
    n-pentyl acetate 594.36
    transcutol 1684.04
    n-heptanol 596.26
    ethylbenzene 157.23
    MIBK 356.86
    2-propoxyethanol 1312.38
    tert-butanol 1509.73
    MTBE 1260.78
    2-butoxyethanol 667.87
    propionic acid 736.39
    o-xylene 165.8
    formic acid 242.43
    diethyl ether 1512.76
    m-xylene 171.55
    p-xylene 207.43
    chlorobenzene 440.7
    dimethyl carbonate 68.34
    n-octane 149.3
    formamide 226.95
    cyclopentanone 1295.82
    2-pentanone 691.26
    anisole 257.4
    cyclopentyl methyl ether 1066.99
    gamma-butyrolactone 1323.24
    1-methoxy-2-propanol 641.94
    pyridine 783.34
    3-pentanone 433.09
    furfural 781.21
    n-dodecane 76.38
    diethylene glycol 612.12
    diisopropyl ether 377.37
    tert-amyl alcohol 1253.15
    acetylacetone 393.05
    n-hexadecane 84.56
    acetophenone 203.94
    methyl propionate 374.95
    isopentyl acetate 973.71
    trichloroethylene 1204.72
    n-nonanol 403.71
    cyclohexanol 1247.52
    benzyl alcohol 233.9
    2-ethylhexanol 985.88
    isooctanol 445.21
    dipropyl ether 1096.35
    1,2-dichlorobenzene 358.06
    ethyl lactate 157.92
    propylene carbonate 614.72
    n-methylformamide 402.21
    2-pentanol 956.64
    n-pentane 502.3
    1-propoxy-2-propanol 1107.78
    1-methoxy-2-propyl acetate 560.1
    2-(2-methoxypropoxy) propanol 363.32
    mesitylene 123.17
    ε-caprolactone 1124.51
    p-cymene 210.71
    epichlorohydrin 1211.09
    1,1,1-trichloroethane 900.8
    2-aminoethanol 437.13
    morpholine-4-carbaldehyde 681.42
    sulfolane 1158.89
    2,2,4-trimethylpentane 169.98
    2-methyltetrahydrofuran 2235.96
    n-hexyl acetate 690.64
    isooctane 136.2
    2-(2-butoxyethoxy)ethanol 588.1
    sec-butyl acetate 359.11
    tert-butyl acetate 481.05
    decalin 181.76
    glycerin 270.52
    diglyme 939.22
    acrylic acid 430.4
    isopropyl myristate 253.18
    n-butyric acid 1301.24
    acetyl acetate 307.62
    di(2-ethylhexyl) phthalate 183.67
    ethyl propionate 368.66
    nitromethane 690.28
    1,2-diethoxyethane 953.16
    benzonitrile 421.26
    trioctyl phosphate 175.19
    1-bromopropane 983.48
    gamma-valerolactone 1276.25
    n-decanol 284.93
    triethyl phosphate 196.55
    4-methyl-2-pentanol 424.95
    propionitrile 830.85
    vinylene carbonate 460.87
    1,1,2-trichlorotrifluoroethane 624.32
    DMS 236.6
    cumene 131.57
    2-octanol 396.58
    2-hexanone 653.22
    octyl acetate 300.42
    limonene 454.63
    1,2-dimethoxyethane 1022.71
    ethyl orthosilicate 233.17
    tributyl phosphate 223.12
    diacetone alcohol 456.47
    N,N-dimethylaniline 158.95
    acrylonitrile 601.51
    aniline 382.66
    1,3-propanediol 769.61
    bromobenzene 436.16
    dibromomethane 1150.61
    1,1,2,2-tetrachloroethane 1011.03
    2-methyl-cyclohexyl acetate 439.89
    tetrabutyl urea 235.53
    diisobutyl methanol 441.99
    2-phenylethanol 416.99
    styrene 189.16
    dioctyl adipate 279.99
    dimethyl sulfate 110.64
    ethyl butyrate 669.49
    methyl lactate 145.85
    butyl lactate 360.19
    diethyl carbonate 308.51
    propanediol butyl ether 446.08
    triethyl orthoformate 445.1
    p-tert-butyltoluene 200.27
    methyl 4-tert-butylbenzoate 256.12
    morpholine 1909.56
    tert-butylamine 1228.29
    n-dodecanol 212.81
    dimethoxymethane 357.95
    ethylene carbonate 465.1
    cyrene 249.46
    2-ethoxyethyl acetate 506.63
    2-ethylhexyl acetate 815.76
    1,2,4-trichlorobenzene 392.54
    4-methylpyridine 689.66
    dibutyl ether 738.0
    2,6-dimethyl-4-heptanol 441.99
    DEF 535.18
    dimethyl isosorbide 611.04
    tetrachloroethylene 858.53
    eugenol 248.22
    triacetin 317.52
    span 80 448.44
    1,4-butanediol 260.13
    1,1-dichloroethane 968.95
    2-methyl-1-pentanol 709.82
    methyl formate 254.9
    2-methyl-1-butanol 1078.21
    n-decane 147.61
    butyronitrile 1112.56
    3,7-dimethyl-1-octanol 481.79
    1-chlorooctane 379.95
    1-chlorotetradecane 135.98
    n-nonane 168.87
    undecane 100.87
    tert-butylcyclohexane 194.34
    cyclooctane 184.24
    cyclopentanol 1273.04
    tetrahydropyran 2384.43
    tert-amyl methyl ether 749.43
    2,5,8-trioxanonane 535.91
    1-hexene 1084.62
    2-isopropoxyethanol 455.12
    2,2,2-trifluoroethanol 194.08
    methyl butyrate 522.36

    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