2,2,4-Trimethyl-1,3-pentanediol

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  • Identifiers

    CAS number
    144-19-4

    Molecular formula
    C8H18O2

    SMILES
    CC(C)C(C(C)(C)CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 38.7%
    Camphoreous 37.07%
    Alcoholic 35.11%
    Fermented 33.2%
    Mint 32.76%
    Sweet 31.45%
    Ethereal 25.07%
    Oily 24.86%
    Odorless 24.32%
    Floral 24.14%

     

    Flavor
    Fruity 41.97%
    Sweet 31.48%
    Bitter 30.1%
    Green 26.8%
    Tropical 25.07%
    Mild 22.42%
    Grape skin 22.06%
    Catty 21.03%
    Black currant 20.92%
    Yeasty 20.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.1 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 51-52 °C

    Boiling point

    • 234 °C @ 737 MM HG

    Flash point

    • 102.33 ˚C est.
    • 113 °C
    • 235 °F (113 °C) (OPEN CUP)

    Solubility expt.

    • SOL IN HOT BENZENE
    • (96% PURE) SOL IN ACETONE
    • SOL IN ALC, ETHER
    • Water solubility= 19,000 mg/l at 25 °C

  • Synonyms

    • 2,2,4-TRIMETHYL-1,3-PENTANEDIOL
    • 144-19-4
    • 2,2,4-Trimethylpentane-1,3-diol
    • 1,3-Pentanediol, 2,2,4-trimethyl-
    • TMPD (alcohol)
    • Trimethyl-1,3-Pentanediol
    • Caswell No. 893
    • HSDB 1136
    • NSC 6368
    • EINECS 205-619-1
    • EPA Pesticide Chemical Code 041002
    • BRN 1698098
    • WT1X081P0L
    • DTXSID8027113
    • AI3-02706
    • NSC-6368
    • EASTMAN TMPD GLYCOL
    • DTXCID407113
    • EC 205-619-1
    • 4-01-00-02604 (Beilstein Handbook Reference)
    • RefChem:440715
    • 1,3Pentanediol, 2,2,4trimethyl
    • (+-)-TRIMETHYL-1,3-PENTANEDIOL
    • TRIMETHYL-1,3-PENTANEDIOL [INCI]
    • TRIMETHYL-1,3-PENTANEDIOL, (+-)-
    • InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H
    • TMPD Glycol
    • MFCD00004681
    • UNII-WT1X081P0L
    • 2,2,4-Trimethyl-1,3-pentanediol; NSC 6368; Nexcoat 795; TMPD (Alcohol)
    • 2,2,4-Trimethyl pentanediol-1,3
    • SCHEMBL19645
    • CHEMBL3184961
    • SCHEMBL15135159
    • 2,4-Trimethyl-1,3-pentanediol
    • NSC6368
    • CHEBI:229396
    • 2,2,4-trimethylpentan-1,3-diol
    • Tox21_200443
    • AKOS002313503
    • AKOS016051412
    • CS-W018223
    • 2,2,4-trimethyl-1,3-dihydroxypentane
    • 1,3-Dihydroxy-2,2,4-trimethyl pentane
    • MSK000230-1000B
    • NCGC00248618-01
    • NCGC00257997-01
    • CAS-144-19-4
    • LS-13543
    • SY049064
    • (+/-)-TRIMETHYL-1,3-PENTANEDIOL
    • 2,2,4-Trimethyl-1,3-pentanediol, 97%
    • NS00005828
    • ST50759404
    • T0483
    • TRIMETHYL-1,3-PENTANEDIOL, (+/-)-
    • WLN: Q1X1 & 1 & YQY1 & 1
    • D71064
    • EN300-7222564
    • F240962
    • Q24817446
    • 2,2,4-Trimethyl-1,3-pentanediol Solution in Acetone, 1000ug/mL
    • 144-19-4

  • Applications

    2,2,4-Trimethyl-1,3-pentanediol (CAS 144-19-4) is used as a diol polyol in polyurethane formulations for coatings, adhesives, and elastomers, where it acts as a crosslinking agent to improve hardness and chemical resistance. In the production of specialty polymers and resins, including alkyds and polyesters, it serves as a chain extender or crosslinker to enhance durability and temperature performance. It can function as a reactive diluent in UV-curable coatings and inks, enabling formulation flexibility and faster curing. It is a precursor to derivatives such as ethers and esters, used in performance materials and specialty plastics. In adhesive formulations, especially polyurethane-based systems, its diol functionality contributes to adhesion strength and material integrity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 353.83
    methanol 539.44
    isopropanol 291.84
    water 20.26
    ethyl acetate 113.44
    n-propanol 301.15
    acetone 113.41
    n-butanol 281.65
    acetonitrile 106.1
    DMF 129.36
    toluene 37.42
    isobutanol 240.5
    1,4-dioxane 348.2
    methyl acetate 116.91
    THF 479.44
    2-butanone 126.64
    n-pentanol 168.05
    sec-butanol 260.84
    n-hexane 32.12
    ethylene glycol 188.33
    NMP 203.1
    cyclohexane 32.34
    DMSO 174.9
    n-butyl acetate 158.35
    n-octanol 152.85
    chloroform 281.2
    n-propyl acetate 89.14
    acetic acid 307.12
    dichloromethane 165.72
    cyclohexanone 203.7
    propylene glycol 207.95
    isopropyl acetate 100.96
    DMAc 137.3
    2-ethoxyethanol 250.79
    isopentanol 246.41
    n-heptane 41.54
    ethyl formate 104.08
    1,2-dichloroethane 104.26
    n-hexanol 333.33
    2-methoxyethanol 394.82
    isobutyl acetate 77.02
    tetrachloromethane 105.92
    n-pentyl acetate 107.79
    transcutol 405.49
    n-heptanol 188.78
    ethylbenzene 35.48
    MIBK 120.05
    2-propoxyethanol 409.01
    tert-butanol 445.72
    MTBE 259.66
    2-butoxyethanol 263.77
    propionic acid 208.6
    o-xylene 46.16
    formic acid 223.18
    diethyl ether 151.88
    m-xylene 50.89
    p-xylene 49.85
    chlorobenzene 62.81
    dimethyl carbonate 36.57
    n-octane 16.88
    formamide 131.02
    cyclopentanone 231.4
    2-pentanone 121.99
    anisole 83.6
    cyclopentyl methyl ether 205.42
    gamma-butyrolactone 273.9
    1-methoxy-2-propanol 278.54
    pyridine 101.91
    3-pentanone 80.94
    furfural 210.96
    n-dodecane 11.38
    diethylene glycol 330.87
    diisopropyl ether 78.53
    tert-amyl alcohol 364.73
    acetylacetone 112.43
    n-hexadecane 12.26
    acetophenone 81.38
    methyl propionate 85.35
    isopentyl acetate 161.58
    trichloroethylene 214.82
    n-nonanol 119.77
    cyclohexanol 212.73
    benzyl alcohol 86.22
    2-ethylhexanol 185.75
    isooctanol 157.97
    dipropyl ether 134.95
    1,2-dichlorobenzene 78.0
    ethyl lactate 79.23
    propylene carbonate 168.91
    n-methylformamide 126.69
    2-pentanol 204.8
    n-pentane 31.8
    1-propoxy-2-propanol 301.63
    1-methoxy-2-propyl acetate 165.33
    2-(2-methoxypropoxy) propanol 161.26
    mesitylene 44.49
    ε-caprolactone 202.31
    p-cymene 56.31
    epichlorohydrin 238.99
    1,1,1-trichloroethane 148.98
    2-aminoethanol 294.42
    morpholine-4-carbaldehyde 240.44
    sulfolane 334.79
    2,2,4-trimethylpentane 35.46
    2-methyltetrahydrofuran 319.17
    n-hexyl acetate 152.9
    isooctane 31.57
    2-(2-butoxyethoxy)ethanol 229.41
    sec-butyl acetate 78.98
    tert-butyl acetate 161.88
    decalin 23.04
    glycerin 271.18
    diglyme 338.22
    acrylic acid 168.38
    isopropyl myristate 62.66
    n-butyric acid 252.59
    acetyl acetate 77.68
    di(2-ethylhexyl) phthalate 70.1
    ethyl propionate 76.91
    nitromethane 207.59
    1,2-diethoxyethane 127.72
    benzonitrile 86.53
    trioctyl phosphate 66.78
    1-bromopropane 88.22
    gamma-valerolactone 296.54
    n-decanol 85.22
    triethyl phosphate 62.49
    4-methyl-2-pentanol 157.82
    propionitrile 114.4
    vinylene carbonate 135.51
    1,1,2-trichlorotrifluoroethane 255.22
    DMS 77.12
    cumene 42.13
    2-octanol 118.74
    2-hexanone 99.63
    octyl acetate 80.21
    limonene 86.27
    1,2-dimethoxyethane 257.45
    ethyl orthosilicate 69.54
    tributyl phosphate 61.7
    diacetone alcohol 223.81
    N,N-dimethylaniline 72.03
    acrylonitrile 109.49
    aniline 73.31
    1,3-propanediol 337.0
    bromobenzene 57.4
    dibromomethane 129.93
    1,1,2,2-tetrachloroethane 214.95
    2-methyl-cyclohexyl acetate 122.3
    tetrabutyl urea 68.92
    diisobutyl methanol 120.58
    2-phenylethanol 131.11
    styrene 32.39
    dioctyl adipate 78.39
    dimethyl sulfate 74.63
    ethyl butyrate 111.21
    methyl lactate 86.53
    butyl lactate 113.31
    diethyl carbonate 65.6
    propanediol butyl ether 210.46
    triethyl orthoformate 92.74
    p-tert-butyltoluene 63.61
    methyl 4-tert-butylbenzoate 133.08
    morpholine 336.63
    tert-butylamine 305.41
    n-dodecanol 63.43
    dimethoxymethane 125.03
    ethylene carbonate 119.94
    cyrene 155.43
    2-ethoxyethyl acetate 112.13
    2-ethylhexyl acetate 122.24
    1,2,4-trichlorobenzene 97.05
    4-methylpyridine 100.47
    dibutyl ether 81.84
    2,6-dimethyl-4-heptanol 120.58
    DEF 113.1
    dimethyl isosorbide 235.93
    tetrachloroethylene 182.33
    eugenol 130.44
    triacetin 107.26
    span 80 167.87
    1,4-butanediol 153.56
    1,1-dichloroethane 128.64
    2-methyl-1-pentanol 162.31
    methyl formate 101.18
    2-methyl-1-butanol 223.81
    n-decane 20.14
    butyronitrile 140.12
    3,7-dimethyl-1-octanol 132.15
    1-chlorooctane 65.36
    1-chlorotetradecane 25.1
    n-nonane 21.02
    undecane 14.47
    tert-butylcyclohexane 33.66
    cyclooctane 16.87
    cyclopentanol 246.8
    tetrahydropyran 248.18
    tert-amyl methyl ether 189.94
    2,5,8-trioxanonane 225.5
    1-hexene 66.18
    2-isopropoxyethanol 194.87
    2,2,2-trifluoroethanol 140.08
    methyl butyrate 102.16

    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