2-Butyl-2-ethyl-1,3-propanediol

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  • Identifiers

    CAS number
    115-84-4

    Molecular formula
    C9H20O2

    SMILES
    CCCCC(CC)(CO)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 46.54%
    Sweet 42.5%
    Alcoholic 37.39%
    Mint 35.08%
    Herbal 33.41%
    Fruity 32.69%
    Fermented 32.52%
    Fresh 28.01%
    Woody 27.53%
    Musty 27.27%

     

    Flavor
    Sweet 50.55%
    Green 41.63%
    Fruity 39.16%
    Herbal 32.86%
    Earthy 27.82%
    Floral 27.03%
    Waxy 26.9%
    Oily 26.33%
    Mild 25.25%
    Spicy 23.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    258°C

    Flash point

    • 129.42 ˚C est.

  • Synonyms

    • 2-Butyl-2-ethyl-1,3-propanediol
    • 115-84-4
    • 1,3-PROPANEDIOL, 2-BUTYL-2-ETHYL-
    • 3,3-Bis(hydroxymethyl)heptane
    • 2-Ethyl-2-butyl-1,3-propanediol
    • 61P3KJ8K4Y
    • DTXSID8041400
    • NSC-406603
    • DTXCID6021400
    • BUTYL ETHYL PROPANE DIOL (BEPG)
    • RefChem:468101
    • 204-111-7
    • 2-butyl-2-ethylpropane-1,3-diol
    • BEPD
    • 2-Butyl-2-ethylpropanediol
    • 2-Ethyl-2-butyl-1,3-propandeiol
    • MFCD00004697
    • NSC 406603
    • 2-Ethyl-2-butylpropanediol-1,3
    • 2-butyl-2-ethyl-propane-1,3-diol
    • 2-Ethyl-2-(hydroxymethyl)-1-hexanol
    • Caswell No. 129
    • EINECS 204-111-7
    • EPA Pesticide Chemical Code 041003
    • BRN 1737392
    • UNII-61P3KJ8K4Y
    • AI3-03775
    • 1,3-Propanediol,2-butyl-2-ethyl-
    • 1, 2-butyl-2-ethyl-
    • EC 204-111-7
    • SCHEMBL21161
    • 4-01-00-02611 (Beilstein Handbook Reference)
    • orb3026070
    • CHEMBL3185639
    • 2-butyl-2-ethyl1,3-propanediol
    • 2-butyl-2-ethyl-1,3-propandiol
    • 2-ethyl-2-butyl-1,3-propandiol
    • 2-butyl-2-ethyl-1,3 -propanediol
    • 2-Ethyl-2-butyl-1,3-propanediole
    • Tox21_301187
    • NSC406603
    • 2-n-Butyl-2-ethyl-1,3-propanediol
    • 2-n-butyl-2-ethyl-1,3-propane diol
    • AKOS015839515
    • NCGC00248322-01
    • NCGC00255085-01
    • AS-61324
    • CAS-115-84-4
    • SY051621
    • 2-Butyl-2-ethyl-1,3-propanediol, 99%
    • B0922
    • CS-0377919
    • NS00007453
    • BUTYL-2-ETHYL-1,3-PROPANEDIOL, 2-
    • E78803
    • Q15632773
    • F8889-0416
    • InChI=1/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H
    • 115-84-4

  • Applications

    2-Butyl-2-ethyl-1,3-propanediol is used primarily as a diol intermediate in the synthesis of polymers and specialty resins, including polyurethane and polyester, where it contributes to flexibility and crosslinking; it also serves as a processing aid in coatings, inks, and cleaning formulations, acting as a solvent or co-solvent and helping to adjust viscosity and flow; in polymer formulations it can function as a plasticizer or blending component to modify mechanical properties; and in cosmetics and personal care it may be employed as a humectant or solvent. (Chemical name: 2-Butyl-2-ethyl-1,3-propanediol; CAS number: 115-84-4.)

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 720.68
    methanol 484.38
    isopropanol 827.4
    water 1.59
    ethyl acetate 227.87
    n-propanol 700.68
    acetone 273.77
    n-butanol 599.98
    acetonitrile 235.14
    DMF 363.57
    toluene 45.16
    isobutanol 541.27
    1,4-dioxane 826.24
    methyl acetate 229.27
    THF 1025.54
    2-butanone 250.76
    n-pentanol 296.26
    sec-butanol 548.7
    n-hexane 23.98
    ethylene glycol 138.58
    NMP 341.74
    cyclohexane 72.02
    DMSO 625.68
    n-butyl acetate 279.79
    n-octanol 171.42
    chloroform 648.36
    n-propyl acetate 184.76
    acetic acid 403.38
    dichloromethane 524.64
    cyclohexanone 560.0
    propylene glycol 258.08
    isopropyl acetate 146.09
    DMAc 206.88
    2-ethoxyethanol 330.33
    isopentanol 432.01
    n-heptane 45.27
    ethyl formate 260.87
    1,2-dichloroethane 313.72
    n-hexanol 415.92
    2-methoxyethanol 673.03
    isobutyl acetate 124.43
    tetrachloromethane 143.72
    n-pentyl acetate 159.09
    transcutol 609.09
    n-heptanol 220.49
    ethylbenzene 40.49
    MIBK 140.91
    2-propoxyethanol 442.35
    tert-butanol 876.29
    MTBE 315.07
    2-butoxyethanol 304.51
    propionic acid 376.72
    o-xylene 52.73
    formic acid 124.4
    diethyl ether 225.3
    m-xylene 44.7
    p-xylene 59.11
    chlorobenzene 127.7
    dimethyl carbonate 50.83
    n-octane 17.74
    formamide 160.04
    cyclopentanone 618.72
    2-pentanone 215.0
    anisole 103.07
    cyclopentyl methyl ether 286.9
    gamma-butyrolactone 698.44
    1-methoxy-2-propanol 489.02
    pyridine 321.08
    3-pentanone 121.91
    furfural 424.66
    n-dodecane 12.13
    diethylene glycol 313.36
    diisopropyl ether 74.27
    tert-amyl alcohol 513.51
    acetylacetone 190.85
    n-hexadecane 13.66
    acetophenone 110.73
    methyl propionate 152.12
    isopentyl acetate 242.39
    trichloroethylene 521.33
    n-nonanol 142.06
    cyclohexanol 439.74
    benzyl alcohol 125.2
    2-ethylhexanol 234.37
    isooctanol 179.24
    dipropyl ether 194.41
    1,2-dichlorobenzene 140.75
    ethyl lactate 103.91
    propylene carbonate 370.42
    n-methylformamide 266.06
    2-pentanol 320.77
    n-pentane 28.9
    1-propoxy-2-propanol 380.69
    1-methoxy-2-propyl acetate 191.06
    2-(2-methoxypropoxy) propanol 175.68
    mesitylene 42.18
    ε-caprolactone 452.97
    p-cymene 63.06
    epichlorohydrin 613.65
    1,1,1-trichloroethane 281.99
    2-aminoethanol 332.19
    morpholine-4-carbaldehyde 407.57
    sulfolane 695.31
    2,2,4-trimethylpentane 24.68
    2-methyltetrahydrofuran 632.03
    n-hexyl acetate 200.08
    isooctane 22.72
    2-(2-butoxyethoxy)ethanol 275.6
    sec-butyl acetate 114.18
    tert-butyl acetate 170.02
    decalin 27.47
    glycerin 309.16
    diglyme 467.46
    acrylic acid 248.2
    isopropyl myristate 77.5
    n-butyric acid 599.37
    acetyl acetate 112.85
    di(2-ethylhexyl) phthalate 82.01
    ethyl propionate 125.13
    nitromethane 448.38
    1,2-diethoxyethane 204.78
    benzonitrile 181.09
    trioctyl phosphate 79.63
    1-bromopropane 199.57
    gamma-valerolactone 653.86
    n-decanol 101.89
    triethyl phosphate 84.98
    4-methyl-2-pentanol 169.1
    propionitrile 258.94
    vinylene carbonate 285.76
    1,1,2-trichlorotrifluoroethane 418.73
    DMS 95.69
    cumene 43.62
    2-octanol 136.61
    2-hexanone 159.16
    octyl acetate 98.54
    limonene 106.62
    1,2-dimethoxyethane 471.26
    ethyl orthosilicate 88.09
    tributyl phosphate 83.1
    diacetone alcohol 257.52
    N,N-dimethylaniline 74.41
    acrylonitrile 255.26
    aniline 136.7
    1,3-propanediol 559.89
    bromobenzene 113.13
    dibromomethane 354.39
    1,1,2,2-tetrachloroethane 471.56
    2-methyl-cyclohexyl acetate 157.98
    tetrabutyl urea 103.26
    diisobutyl methanol 138.33
    2-phenylethanol 161.8
    styrene 45.14
    dioctyl adipate 110.52
    dimethyl sulfate 100.71
    ethyl butyrate 187.31
    methyl lactate 119.27
    butyl lactate 159.27
    diethyl carbonate 112.9
    propanediol butyl ether 256.0
    triethyl orthoformate 144.92
    p-tert-butyltoluene 64.82
    methyl 4-tert-butylbenzoate 154.18
    morpholine 944.26
    tert-butylamine 510.12
    n-dodecanol 76.93
    dimethoxymethane 203.39
    ethylene carbonate 274.25
    cyrene 180.19
    2-ethoxyethyl acetate 155.62
    2-ethylhexyl acetate 175.66
    1,2,4-trichlorobenzene 162.48
    4-methylpyridine 209.02
    dibutyl ether 125.65
    2,6-dimethyl-4-heptanol 138.33
    DEF 228.37
    dimethyl isosorbide 288.09
    tetrachloroethylene 347.39
    eugenol 143.99
    triacetin 145.79
    span 80 214.33
    1,4-butanediol 172.61
    1,1-dichloroethane 324.84
    2-methyl-1-pentanol 220.13
    methyl formate 182.92
    2-methyl-1-butanol 374.06
    n-decane 21.92
    butyronitrile 343.55
    3,7-dimethyl-1-octanol 146.72
    1-chlorooctane 82.27
    1-chlorotetradecane 29.91
    n-nonane 22.54
    undecane 15.79
    tert-butylcyclohexane 28.31
    cyclooctane 21.66
    cyclopentanol 596.43
    tetrahydropyran 745.82
    tert-amyl methyl ether 178.74
    2,5,8-trioxanonane 285.16
    1-hexene 75.52
    2-isopropoxyethanol 226.57
    2,2,2-trifluoroethanol 131.66
    methyl butyrate 214.28

    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