3-Ethyl-3-phenyl-1,5-pentanediol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84682-28-0

    Molecular formula
    C13H20O2

    SMILES
    CCC(CCO)(CCO)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 73.91%
    Sweet 63.5%
    Rose 54.1%
    Balsamic 46.11%
    Fresh 34.51%
    Woody 31.15%
    Herbal 31.01%
    Citrus 30.14%
    Lily 29.89%
    Fruity 29.41%

     

    Flavor
    Floral 59.11%
    Sweet 58.87%
    Green 54.96%
    Balsam 37.29%
    Rose 36.09%
    Woody 35.4%
    Mild 34.67%
    Earthy 32.82%
    Bitter 30.81%
    Spicy 28.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.05 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 175.6 ˚C est.

  • Synonyms

    • 3-Ethyl-3-phenylpentane-1,5-diol
    • 84682-28-0
    • 3-Ethyl-3-phenyl-1,5-pentanediol
    • NSC-90454
    • E72DE9JY37
    • DTXSID00233674
    • RefChem:1067773
    • DTXCID30156165
    • 283-590-4
    • NSC90454
    • EINECS 283-590-4
    • NCIOpen2_005629
    • JDYDBAVDWRWTCJ-UHFFFAOYSA-N
    • NSC 90454
    • 1,5-Pentanediol, 3-ethyl-3-phenyl-
    • NS00038608
    • 84682-28-0

  • Applications

    3-Ethyl-3-phenyl-1,5-pentanediol (CAS 84682-28-0) is primarily used as an organic synthesis intermediate and as a difunctional diol for polymer systems. With two hydroxyl groups, it is commonly used as a chain extender or crosslinker in polyurethanes and specialty plastics, helping to tailor rigidity, thermal resistance, and mechanical properties. In coatings and inks, it can serve as a crosslinkable component to enhance film durability. Additionally, in fragrance and cosmetics, it may be considered as a fragrance ingredient or fixative, and in personal care or household formulations it can function as a solvent or co-solvent, subject to regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 879.58
    methanol 1476.94
    isopropanol 431.54
    water 1.24
    ethyl acetate 294.12
    n-propanol 790.52
    acetone 604.74
    n-butanol 432.97
    acetonitrile 386.47
    DMF 1057.21
    toluene 82.88
    isobutanol 378.34
    1,4-dioxane 854.84
    methyl acetate 324.06
    THF 1063.13
    2-butanone 334.45
    n-pentanol 174.79
    sec-butanol 212.31
    n-hexane 5.62
    ethylene glycol 269.86
    NMP 585.08
    cyclohexane 21.02
    DMSO 1866.78
    n-butyl acetate 179.02
    n-octanol 65.05
    chloroform 519.73
    n-propyl acetate 155.82
    acetic acid 324.31
    dichloromethane 678.23
    cyclohexanone 612.98
    propylene glycol 214.22
    isopropyl acetate 126.58
    DMAc 331.25
    2-ethoxyethanol 296.72
    isopentanol 215.62
    n-heptane 10.12
    ethyl formate 325.65
    1,2-dichloroethane 607.11
    n-hexanol 228.63
    2-methoxyethanol 895.17
    isobutyl acetate 87.43
    tetrachloromethane 95.85
    n-pentyl acetate 88.08
    transcutol 406.83
    n-heptanol 87.7
    ethylbenzene 36.62
    MIBK 125.86
    2-propoxyethanol 365.37
    tert-butanol 395.99
    MTBE 176.96
    2-butoxyethanol 153.23
    propionic acid 344.69
    o-xylene 55.69
    formic acid 200.85
    diethyl ether 246.11
    m-xylene 64.66
    p-xylene 37.59
    chlorobenzene 160.23
    dimethyl carbonate 119.44
    n-octane 5.16
    formamide 394.82
    cyclopentanone 883.39
    2-pentanone 280.6
    anisole 102.84
    cyclopentyl methyl ether 314.08
    gamma-butyrolactone 1016.4
    1-methoxy-2-propanol 438.18
    pyridine 381.1
    3-pentanone 185.39
    furfural 444.04
    n-dodecane 3.96
    diethylene glycol 330.09
    diisopropyl ether 38.92
    tert-amyl alcohol 179.07
    acetylacetone 255.97
    n-hexadecane 4.55
    acetophenone 105.06
    methyl propionate 282.67
    isopentyl acetate 131.03
    trichloroethylene 739.79
    n-nonanol 54.88
    cyclohexanol 247.15
    benzyl alcohol 107.43
    2-ethylhexanol 87.99
    isooctanol 65.88
    dipropyl ether 112.18
    1,2-dichlorobenzene 138.46
    ethyl lactate 81.64
    propylene carbonate 350.07
    n-methylformamide 893.17
    2-pentanol 134.15
    n-pentane 7.57
    1-propoxy-2-propanol 202.9
    1-methoxy-2-propyl acetate 161.66
    2-(2-methoxypropoxy) propanol 91.81
    mesitylene 42.09
    ε-caprolactone 397.84
    p-cymene 35.23
    epichlorohydrin 965.66
    1,1,1-trichloroethane 278.86
    2-aminoethanol 475.3
    morpholine-4-carbaldehyde 478.45
    sulfolane 1055.74
    2,2,4-trimethylpentane 6.54
    2-methyltetrahydrofuran 501.86
    n-hexyl acetate 105.08
    isooctane 6.12
    2-(2-butoxyethoxy)ethanol 143.13
    sec-butyl acetate 70.68
    tert-butyl acetate 129.51
    decalin 9.81
    glycerin 283.62
    diglyme 313.51
    acrylic acid 250.2
    isopropyl myristate 35.67
    n-butyric acid 407.25
    acetyl acetate 127.74
    di(2-ethylhexyl) phthalate 44.78
    ethyl propionate 124.82
    nitromethane 779.02
    1,2-diethoxyethane 150.82
    benzonitrile 151.03
    trioctyl phosphate 41.75
    1-bromopropane 213.79
    gamma-valerolactone 839.72
    n-decanol 40.65
    triethyl phosphate 54.59
    4-methyl-2-pentanol 65.26
    propionitrile 366.23
    vinylene carbonate 302.39
    1,1,2-trichlorotrifluoroethane 397.48
    DMS 90.16
    cumene 28.56
    2-octanol 46.63
    2-hexanone 129.01
    octyl acetate 49.94
    limonene 59.54
    1,2-dimethoxyethane 456.75
    ethyl orthosilicate 51.26
    tributyl phosphate 43.98
    diacetone alcohol 189.75
    N,N-dimethylaniline 65.62
    acrylonitrile 434.89
    aniline 171.42
    1,3-propanediol 521.69
    bromobenzene 142.2
    dibromomethane 414.39
    1,1,2,2-tetrachloroethane 497.89
    2-methyl-cyclohexyl acetate 85.57
    tetrabutyl urea 58.9
    diisobutyl methanol 50.51
    2-phenylethanol 111.94
    styrene 46.12
    dioctyl adipate 58.54
    dimethyl sulfate 214.89
    ethyl butyrate 119.32
    methyl lactate 147.53
    butyl lactate 84.9
    diethyl carbonate 74.82
    propanediol butyl ether 117.67
    triethyl orthoformate 76.06
    p-tert-butyltoluene 35.01
    methyl 4-tert-butylbenzoate 99.31
    morpholine 1008.42
    tert-butylamine 170.34
    n-dodecanol 30.68
    dimethoxymethane 561.54
    ethylene carbonate 298.7
    cyrene 126.87
    2-ethoxyethyl acetate 119.88
    2-ethylhexyl acetate 95.03
    1,2,4-trichlorobenzene 154.51
    4-methylpyridine 276.25
    dibutyl ether 60.97
    2,6-dimethyl-4-heptanol 50.51
    DEF 306.18
    dimethyl isosorbide 185.08
    tetrachloroethylene 369.44
    eugenol 94.88
    triacetin 88.32
    span 80 95.38
    1,4-butanediol 147.96
    1,1-dichloroethane 382.42
    2-methyl-1-pentanol 100.06
    methyl formate 625.9
    2-methyl-1-butanol 198.55
    n-decane 7.27
    butyronitrile 291.98
    3,7-dimethyl-1-octanol 55.16
    1-chlorooctane 39.55
    1-chlorotetradecane 12.92
    n-nonane 7.02
    undecane 5.26
    tert-butylcyclohexane 8.94
    cyclooctane 6.97
    cyclopentanol 379.58
    tetrahydropyran 667.77
    tert-amyl methyl ether 98.94
    2,5,8-trioxanonane 182.11
    1-hexene 33.31
    2-isopropoxyethanol 148.93
    2,2,2-trifluoroethanol 129.51
    methyl butyrate 185.39

    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