3-Ethyl-3-pentanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    597-49-9

    Molecular formula
    C7H16O

    SMILES
    CCC(CC)(CC)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 63.85%
    Sweet 55.36%
    Fermented 44.13%
    Musty 43.08%
    Earthy 42.08%
    Herbal 41.94%
    Green 41.49%
    Oily 38.31%
    Camphoreous 35.93%
    Ethereal 35.86%

     

    Flavor
    Fruity 44.59%
    Green 44.38%
    Sweet 29.37%
    Woody 28.1%
    Herbal 27.82%
    Oily 26.11%
    Wine 24.42%
    Bitter 24.35%
    Earthy 23.9%
    Musty 23.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    11.13 (strong base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    140°C

    Flash point

    • 43.83 ˚C est.

  • Synonyms

    • 3-ETHYL-3-PENTANOL
    • 3-Ethylpentan-3-ol
    • 597-49-9
    • Triethylcarbinol
    • 3-Pentanol, 3-ethyl-
    • Triethylmethanol
    • MFCD00004484
    • 3-Aethyl-pentanol-(3)
    • 3-Ethyl-3-hydroxypentane
    • 3-ethyl-pentan-3-ol
    • NSC-25500
    • 8P2O4Y3RTC
    • Triethylmethyl Alcohol
    • 3-Aethyl-pentanol-(3) [German]
    • EINECS 209-902-0
    • NSC 25500
    • 1,1-Diethyl-1-propanol
    • BRN 1731643
    • AI3-30048
    • NSC25500
    • Ethyl-3 pentanol-3
    • starbld0000278
    • UNII-8P2O4Y3RTC
    • SCHEMBL22032
    • 4-01-00-01750 (Beilstein Handbook Reference)
    • 3-Ethyl-3-pentanol, 98%
    • SCHEMBL628819
    • SCHEMBL1618531
    • DTXSID9060497
    • SCHEMBL22578644
    • SBB061141
    • AKOS009156639
    • SB85064
    • AS-77603
    • SY049660
    • CS-0204667
    • E0157
    • NS00034231
    • ST51047197
    • EN300-85565
    • D90446
    • A832456
    • Q4634141
    • Z449374516
    • 597-49-9

  • Applications

    3-Ethyl-3-pentanol (CAS 597-49-9) is primarily used as an intermediate in organic synthesis and as a specialty solvent for research and production applications. In fragrance and cosmetic sectors, it can serve as a building block for aroma compounds or as a solvent base in formulations. In coatings, inks, and polymer processing, it may function as a solvent or processing aid to adjust solubility and formulation rheology. It is also encountered as a reference material or starting point in research and development, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 784.84
    methanol 926.59
    isopropanol 649.27
    water 1.7
    ethyl acetate 448.5
    n-propanol 718.51
    acetone 383.84
    n-butanol 741.4
    acetonitrile 372.68
    DMF 374.19
    toluene 209.56
    isobutanol 528.87
    1,4-dioxane 863.5
    methyl acetate 384.98
    THF 1342.35
    2-butanone 476.13
    n-pentanol 498.78
    sec-butanol 685.05
    n-hexane 462.95
    ethylene glycol 85.22
    NMP 584.17
    cyclohexane 377.87
    DMSO 359.34
    n-butyl acetate 675.52
    n-octanol 360.68
    chloroform 1331.62
    n-propyl acetate 362.51
    acetic acid 345.56
    dichloromethane 998.43
    cyclohexanone 773.85
    propylene glycol 150.18
    isopropyl acetate 301.83
    DMAc 386.58
    2-ethoxyethanol 441.63
    isopentanol 585.94
    n-heptane 371.49
    ethyl formate 314.51
    1,2-dichloroethane 561.31
    n-hexanol 737.62
    2-methoxyethanol 605.61
    isobutyl acetate 253.24
    tetrachloromethane 471.43
    n-pentyl acetate 445.11
    transcutol 1075.78
    n-heptanol 395.25
    ethylbenzene 178.65
    MIBK 255.31
    2-propoxyethanol 676.03
    tert-butanol 771.39
    MTBE 728.79
    2-butoxyethanol 474.16
    propionic acid 387.01
    o-xylene 183.76
    formic acid 120.74
    diethyl ether 756.52
    m-xylene 152.5
    p-xylene 255.09
    chlorobenzene 351.26
    dimethyl carbonate 73.28
    n-octane 139.13
    formamide 153.44
    cyclopentanone 746.4
    2-pentanone 393.37
    anisole 277.02
    cyclopentyl methyl ether 621.28
    gamma-butyrolactone 753.79
    1-methoxy-2-propanol 437.86
    pyridine 530.04
    3-pentanone 331.6
    furfural 551.8
    n-dodecane 73.72
    diethylene glycol 323.3
    diisopropyl ether 258.86
    tert-amyl alcohol 762.16
    acetylacetone 272.94
    n-hexadecane 81.26
    acetophenone 239.03
    methyl propionate 272.5
    isopentyl acetate 553.37
    trichloroethylene 797.59
    n-nonanol 329.86
    cyclohexanol 607.46
    benzyl alcohol 225.03
    2-ethylhexanol 546.09
    isooctanol 327.97
    dipropyl ether 669.29
    1,2-dichlorobenzene 338.04
    ethyl lactate 148.76
    propylene carbonate 441.49
    n-methylformamide 264.38
    2-pentanol 530.57
    n-pentane 326.28
    1-propoxy-2-propanol 575.27
    1-methoxy-2-propyl acetate 359.88
    2-(2-methoxypropoxy) propanol 324.25
    mesitylene 118.77
    ε-caprolactone 705.04
    p-cymene 199.53
    epichlorohydrin 723.97
    1,1,1-trichloroethane 703.77
    2-aminoethanol 260.13
    morpholine-4-carbaldehyde 551.85
    sulfolane 736.04
    2,2,4-trimethylpentane 148.94
    2-methyltetrahydrofuran 1137.07
    n-hexyl acetate 540.3
    isooctane 99.98
    2-(2-butoxyethoxy)ethanol 471.24
    sec-butyl acetate 277.26
    tert-butyl acetate 346.96
    decalin 173.01
    glycerin 167.58
    diglyme 709.99
    acrylic acid 248.08
    isopropyl myristate 233.56
    n-butyric acid 635.1
    acetyl acetate 222.04
    di(2-ethylhexyl) phthalate 176.44
    ethyl propionate 301.39
    nitromethane 340.78
    1,2-diethoxyethane 643.78
    benzonitrile 328.27
    trioctyl phosphate 157.86
    1-bromopropane 640.92
    gamma-valerolactone 799.19
    n-decanol 239.48
    triethyl phosphate 203.08
    4-methyl-2-pentanol 270.35
    propionitrile 481.33
    vinylene carbonate 356.33
    1,1,2-trichlorotrifluoroethane 442.82
    DMS 223.14
    cumene 158.28
    2-octanol 299.7
    2-hexanone 402.5
    octyl acetate 264.14
    limonene 332.72
    1,2-dimethoxyethane 749.57
    ethyl orthosilicate 238.98
    tributyl phosphate 199.71
    diacetone alcohol 306.74
    N,N-dimethylaniline 213.49
    acrylonitrile 388.78
    aniline 285.6
    1,3-propanediol 387.53
    bromobenzene 358.23
    dibromomethane 833.9
    1,1,2,2-tetrachloroethane 797.69
    2-methyl-cyclohexyl acetate 373.68
    tetrabutyl urea 214.44
    diisobutyl methanol 277.76
    2-phenylethanol 302.19
    styrene 196.8
    dioctyl adipate 270.51
    dimethyl sulfate 122.81
    ethyl butyrate 470.34
    methyl lactate 126.55
    butyl lactate 292.14
    diethyl carbonate 273.67
    propanediol butyl ether 323.34
    triethyl orthoformate 370.95
    p-tert-butyltoluene 198.17
    methyl 4-tert-butylbenzoate 287.66
    morpholine 922.86
    tert-butylamine 694.96
    n-dodecanol 182.01
    dimethoxymethane 292.12
    ethylene carbonate 343.06
    cyrene 232.26
    2-ethoxyethyl acetate 396.95
    2-ethylhexyl acetate 495.16
    1,2,4-trichlorobenzene 365.65
    4-methylpyridine 492.27
    dibutyl ether 528.0
    2,6-dimethyl-4-heptanol 277.76
    DEF 400.8
    dimethyl isosorbide 517.19
    tetrachloroethylene 658.16
    eugenol 249.29
    triacetin 304.82
    span 80 373.37
    1,4-butanediol 171.43
    1,1-dichloroethane 647.81
    2-methyl-1-pentanol 449.46
    methyl formate 179.17
    2-methyl-1-butanol 574.54
    n-decane 139.69
    butyronitrile 552.0
    3,7-dimethyl-1-octanol 373.9
    1-chlorooctane 312.07
    1-chlorotetradecane 129.02
    n-nonane 152.29
    undecane 95.98
    tert-butylcyclohexane 189.82
    cyclooctane 146.22
    cyclopentanol 637.02
    tetrahydropyran 1052.84
    tert-amyl methyl ether 545.65
    2,5,8-trioxanonane 476.17
    1-hexene 650.8
    2-isopropoxyethanol 349.03
    2,2,2-trifluoroethanol 124.65
    methyl butyrate 403.68

    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