3-Pentanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    584-02-1

    Molecular formula
    C5H12O

    SMILES
    CCC(CC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1121.67

  • Odor profile

    Fruity 86.67%
    Sweet 73.92%
    Fermented 68.11%
    Ethereal 61.31%
    Oily 60.73%
    Alcoholic 56.46%
    Solvent 54.1%
    Winey 52.94%
    Musty 48.01%
    Herbal 46.65%

    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

    Melting point expt.

    • -8 °C

    Boiling point

    • 234 °F at 760 mmHg (NIOSH, 2024)
    • 116 °C

    Flash point est.
    28.73 ˚C

    Flash point expt.

    • 95 °F (NIOSH, 2024)
    • 30 °C c.c.

    Solubility expt.

    • Solubility in water, g/100ml at 30 °C: 5.5 (moderate)
    • very soluble in water; soluble in alcohol and ether

  • Synonyms

    • 3-PENTANOL
    • 584-02-1
    • Pentan-3-ol
    • Diethyl carbinol
    • Pentanol-3
    • 3-Pentyl alcohol
    • 1-Ethyl-1-propanol
    • NSC 8654
    • EINECS 209-526-7
    • UNII-X4ELC182I5
    • (C2H5)2CHOH
    • BRN 1730964
    • X4ELC182I5
    • CHEBI:77519
    • AI3-24335
    • NSC-8654
    • 3-PENTANOL [MI]
    • 3-Pentyl--d5 Alcohol
    • DTXSID8060400
    • 4-01-00-01662 (Beilstein Handbook Reference)
    • 144032-75-7
    • Diethylcarbinol
    • secPentanol
    • secAmyl alcohol
    • 3Pentyl alcohol
    • Pentanol3
    • secPentyl alcohol
    • MFCD00004574
    • (+-)-2-pentanol
    • 3-Pentanol, 98%
    • CHEMBL47100
    • QSPL 143
    • WLN: QY2&2
    • DTXCID5042378
    • NSC8654
    • (.+-.)-2-PENTANOL
    • AKOS000248912
    • HY-W087988
    • SB83759
    • UN 2706
    • 3-Pentanol, purum, >=98.0% (GC)
    • DA-66569
    • PD158426
    • CS-0128838
    • NS00022425
    • P0057
    • EN300-108903
    • G75794
    • Q590622

  • Applications

    3‑Pentanol (CAS 584‑02‑1, also called diethylcarbinol) is mainly applied as a polar protic solvent in organic synthesis and extraction (dissolving resins, oils/waxes, additives), as an evaporation‑rate and flow/leveling modifier for inks, coatings, and adhesives, as an intermediate to 3‑pentanone and to 3‑pentyl esters used in flavors/fragrances and materials (via Fischer esterification), as a precursor to 3‑pentyl ethers/surface‑active derivatives, as a reference/standard in GC/GC‑MS of volatile organics, and as a proton source/quench and reaction medium for diverse organic transformations; in pharmaceutical and agrochemical manufacturing it serves as a C5 building block and process solvent due to its moderate volatility, good compatibility with many organic solvents, and limited yet useful water solubility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1100.13
    methanol 1347.36
    isopropanol 779.08
    water 2.8
    ethyl acetate 341.79
    n-propanol 850.63
    acetone 341.11
    n-butanol 892.34
    acetonitrile 358.38
    DMF 240.78
    toluene 99.92
    isobutanol 558.26
    1,4-dioxane 560.62
    methyl acetate 278.08
    THF 1081.9
    2-butanone 369.85
    n-pentanol 554.15
    sec-butanol 710.4
    n-hexane 290.08
    ethylene glycol 129.74
    NMP 378.09
    cyclohexane 195.58
    DMSO 352.71
    n-butyl acetate 617.31
    n-octanol 293.95
    chloroform 1043.58
    n-propyl acetate 287.62
    acetic acid 552.39
    dichloromethane 754.24
    cyclohexanone 542.59
    propylene glycol 205.9
    isopropyl acetate 203.56
    DMAc 200.62
    2-ethoxyethanol 423.08
    isopentanol 627.58
    n-heptane 264.62
    ethyl formate 287.92
    1,2-dichloroethane 375.3
    n-hexanol 809.92
    2-methoxyethanol 643.35
    isobutyl acetate 175.7
    tetrachloromethane 336.6
    n-pentyl acetate 328.34
    transcutol 1040.73
    n-heptanol 361.77
    ethylbenzene 78.82
    MIBK 181.9
    2-propoxyethanol 711.04
    tert-butanol 765.15
    MTBE 459.27
    2-butoxyethanol 439.61
    propionic acid 462.63
    o-xylene 77.27
    formic acid 198.66
    diethyl ether 571.59
    m-xylene 69.02
    p-xylene 113.0
    chlorobenzene 202.41
    dimethyl carbonate 36.39
    n-octane 83.53
    formamide 176.71
    cyclopentanone 567.41
    2-pentanone 318.08
    anisole 141.5
    cyclopentyl methyl ether 399.65
    gamma-butyrolactone 574.84
    1-methoxy-2-propanol 426.05
    pyridine 387.98
    3-pentanone 202.79
    furfural 441.87
    n-dodecane 42.39
    diethylene glycol 370.12
    diisopropyl ether 148.63
    tert-amyl alcohol 654.63
    acetylacetone 188.49
    n-hexadecane 45.16
    acetophenone 133.13
    methyl propionate 189.03
    isopentyl acetate 441.32
    trichloroethylene 606.36
    n-nonanol 250.27
    cyclohexanol 531.76
    benzyl alcohol 159.81
    2-ethylhexanol 507.38
    isooctanol 277.23
    dipropyl ether 490.5
    1,2-dichlorobenzene 181.74
    ethyl lactate 112.13
    propylene carbonate 338.95
    n-methylformamide 246.94
    2-pentanol 529.22
    n-pentane 235.79
    1-propoxy-2-propanol 609.37
    1-methoxy-2-propyl acetate 272.98
    2-(2-methoxypropoxy) propanol 245.32
    mesitylene 49.72
    ε-caprolactone 507.12
    p-cymene 108.02
    epichlorohydrin 501.26
    1,1,1-trichloroethane 429.02
    2-aminoethanol 356.35
    morpholine-4-carbaldehyde 364.36
    sulfolane 519.94
    2,2,4-trimethylpentane 86.67
    2-methyltetrahydrofuran 833.38
    n-hexyl acetate 362.14
    isooctane 58.24
    2-(2-butoxyethoxy)ethanol 400.38
    sec-butyl acetate 178.21
    tert-butyl acetate 211.29
    decalin 73.71
    glycerin 231.72
    diglyme 554.87
    acrylic acid 306.09
    isopropyl myristate 140.12
    n-butyric acid 771.22
    acetyl acetate 151.25
    di(2-ethylhexyl) phthalate 114.55
    ethyl propionate 188.46
    nitromethane 374.26
    1,2-diethoxyethane 510.12
    benzonitrile 247.02
    trioctyl phosphate 106.5
    1-bromopropane 450.73
    gamma-valerolactone 590.68
    n-decanol 175.05
    triethyl phosphate 118.6
    4-methyl-2-pentanol 234.71
    propionitrile 402.51
    vinylene carbonate 252.0
    1,1,2-trichlorotrifluoroethane 397.86
    DMS 122.06
    cumene 72.46
    2-octanol 242.16
    2-hexanone 323.4
    octyl acetate 170.65
    limonene 202.19
    1,2-dimethoxyethane 550.99
    ethyl orthosilicate 139.51
    tributyl phosphate 137.72
    diacetone alcohol 245.11
    N,N-dimethylaniline 100.51
    acrylonitrile 340.34
    aniline 194.67
    1,3-propanediol 499.62
    bromobenzene 186.85
    dibromomethane 613.1
    1,1,2,2-tetrachloroethane 548.85
    2-methyl-cyclohexyl acetate 231.9
    tetrabutyl urea 137.98
    diisobutyl methanol 227.15
    2-phenylethanol 235.12
    styrene 96.91
    dioctyl adipate 169.14
    dimethyl sulfate 62.21
    ethyl butyrate 370.8
    methyl lactate 98.5
    butyl lactate 238.01
    diethyl carbonate 181.67
    propanediol butyl ether 314.93
    triethyl orthoformate 257.54
    p-tert-butyltoluene 100.86
    methyl 4-tert-butylbenzoate 155.38
    morpholine 701.69
    tert-butylamine 602.77
    n-dodecanol 130.08
    dimethoxymethane 180.36
    ethylene carbonate 242.15
    cyrene 162.4
    2-ethoxyethyl acetate 276.26
    2-ethylhexyl acetate 364.19
    1,2,4-trichlorobenzene 196.4
    4-methylpyridine 319.28
    dibutyl ether 401.18
    2,6-dimethyl-4-heptanol 227.15
    DEF 273.11
    dimethyl isosorbide 348.31
    tetrachloroethylene 463.58
    eugenol 178.19
    triacetin 203.66
    span 80 305.56
    1,4-butanediol 210.97
    1,1-dichloroethane 445.64
    2-methyl-1-pentanol 435.84
    methyl formate 148.15
    2-methyl-1-butanol 579.27
    n-decane 82.34
    butyronitrile 533.53
    3,7-dimethyl-1-octanol 296.64
    1-chlorooctane 197.11
    1-chlorotetradecane 73.58
    n-nonane 93.17
    undecane 55.76
    tert-butylcyclohexane 86.25
    cyclooctane 65.59
    cyclopentanol 576.91
    tetrahydropyran 785.47
    tert-amyl methyl ether 334.5
    2,5,8-trioxanonane 355.47
    1-hexene 500.12
    2-isopropoxyethanol 298.97
    2,2,2-trifluoroethanol 136.93
    methyl butyrate 301.62

    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
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Minthostachys glabrescens Minthostachys glabrescens Epling, fam. Lamiaceae (Labiatae) 0.1%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 2.72%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.1%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.04%