Neopentyl alcohol

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  • Identifiers

    CAS number
    75-84-3

    Molecular formula
    C5H12O

    SMILES
    CC(C)(C)CO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Camphoreous 57.91%
    Fermented 55.25%
    Ethereal 53.55%
    Solvent 42.65%
    Mint 40.87%
    Alcoholic 40.16%
    Pungent 33.94%
    Musty 33.27%
    Woody 32.73%
    Fresh 30.98%

     

    Flavor
    Pungent 39.04%
    Green 37.99%
    Bitter 33.95%
    Fruity 31.25%
    Sweet 30.55%
    Ethereal 29.55%
    Ether 27.7%
    Solvent 25.82%
    Earthy 24.67%
    Oily 24.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    9.13 (weak base)

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 53 °C

    Boiling point

    • 114 °C

    Flash point

    • 28.93 ˚C est.
    • 98 °F (37 °C) (CLOSED CUP)

    Solubility expt.

    • MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C
    • Water solubility = 3.5X10+4 mg/L at 25 °C.

  • Synonyms

    • NEOPENTYL ALCOHOL
    • 75-84-3
    • 2,2-Dimethyl-1-propanol
    • 2,2-dimethylpropan-1-ol
    • 2,2-Dimethylpropanol
    • tert-Butylcarbinol
    • Neoamyl alcohol
    • Neopentanol
    • 1-Propanol, 2,2-dimethyl-
    • tert-Butyl carbinol
    • 2,2-Dimethylpropyl alcohol
    • 5I067PJD7S
    • DTXSID9052501
    • RefChem:832324
    • DTXCID3031074
    • 200-907-3
    • Neopentylalcohol
    • MFCD00004682
    • 2,2,2-Trimethylethanol
    • 2,2-dimethyl-propan-1-ol
    • UNII-5I067PJD7S
    • HSDB 103
    • EINECS 200-907-3
    • 2-Methyl-isobutanol
    • 2,2-dimethyl propanol
    • 2,2-dimethyl-propanol
    • AI3-20879
    • SCHEMBL5827
    • 2,2,-dimethyl-1-propanol
    • (CH3)3CCH2OH
    • 2,2-dimethyl-propyl alcohol
    • SCHEMBL15361
    • SCHEMBL93438
    • SCHEMBL647844
    • SCHEMBL905405
    • 2,2-dimethyl -propyl alcohol
    • NEOPENTYL ALCOHOL [MI]
    • CHEMBL458630
    • SCHEMBL3024112
    • SCHEMBL3033018
    • SCHEMBL6251504
    • SCHEMBL6272124
    • NEOPENTYL ALCOHOL [HSDB]
    • SCHEMBL18035705
    • 2,2-Dimethyl-1-propanol, 99%
    • AKOS009156382
    • EBC-618133
    • FD37777
    • BP-20655
    • DB-027517
    • A9631
    • D0792
    • NS00001360
    • EN300-64294
    • D78368
    • F094979
    • 2,2-Dimethyl-1-propanol, purum, >=97.0% (GC)
    • Q3270847
    • Z397587176
    • InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H
    • 75-84-3

  • Applications

    Neopentyl alcohol, CAS 75-84-3, is used primarily as a feedstock for the synthesis of plasticizers and specialty esters for polymers, coatings, and adhesives; it serves as a precursor for neopentyl acrylate and neopentyl methacrylate, monomers used in coatings, sealants, and other resin systems. It also functions as a solvent or reactive solvent in paints, inks, and cleaning formulations, and as a carrier solvent in fragrance and cosmetic formulations. Moreover, its stability and reactivity profile make it a convenient building block for ester-based additives in plastics, coatings, and lubricants. These applications are pursued within appropriate regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.93
    methanol 166.05
    isopropanol 130.13
    water 20.71
    ethyl acetate 73.8
    n-propanol 152.08
    acetone 50.04
    n-butanol 153.7
    acetonitrile 55.93
    DMF 62.09
    toluene 16.79
    isobutanol 106.52
    1,4-dioxane 76.43
    methyl acetate 75.13
    THF 116.47
    2-butanone 64.55
    n-pentanol 77.36
    sec-butanol 149.48
    n-hexane 23.86
    ethylene glycol 93.45
    NMP 91.8
    cyclohexane 18.11
    DMSO 52.27
    n-butyl acetate 78.14
    n-octanol 85.8
    chloroform 190.45
    n-propyl acetate 46.48
    acetic acid 237.4
    dichloromethane 91.26
    cyclohexanone 74.02
    propylene glycol 144.73
    isopropyl acetate 49.51
    DMAc 82.41
    2-ethoxyethanol 98.8
    isopentanol 105.35
    n-heptane 35.56
    ethyl formate 54.57
    1,2-dichloroethane 43.49
    n-hexanol 147.16
    2-methoxyethanol 179.34
    isobutyl acetate 33.84
    tetrachloromethane 65.72
    n-pentyl acetate 55.35
    transcutol 237.76
    n-heptanol 107.39
    ethylbenzene 16.3
    MIBK 38.37
    2-propoxyethanol 182.2
    tert-butanol 154.49
    MTBE 71.97
    2-butoxyethanol 150.26
    propionic acid 178.43
    o-xylene 20.08
    formic acid 138.93
    diethyl ether 61.42
    m-xylene 17.64
    p-xylene 23.03
    chlorobenzene 28.24
    dimethyl carbonate 23.05
    n-octane 13.55
    formamide 101.14
    cyclopentanone 90.13
    2-pentanone 52.38
    anisole 36.49
    cyclopentyl methyl ether 66.5
    gamma-butyrolactone 109.5
    1-methoxy-2-propanol 146.74
    pyridine 56.88
    3-pentanone 45.62
    furfural 100.72
    n-dodecane 8.73
    diethylene glycol 139.86
    diisopropyl ether 28.17
    tert-amyl alcohol 162.26
    acetylacetone 44.66
    n-hexadecane 8.83
    acetophenone 37.63
    methyl propionate 61.78
    isopentyl acetate 71.71
    trichloroethylene 95.51
    n-nonanol 74.61
    cyclohexanol 90.36
    benzyl alcohol 41.52
    2-ethylhexanol 102.56
    isooctanol 80.83
    dipropyl ether 74.01
    1,2-dichlorobenzene 31.77
    ethyl lactate 53.4
    propylene carbonate 85.89
    n-methylformamide 74.2
    2-pentanol 108.56
    n-pentane 26.27
    1-propoxy-2-propanol 173.11
    1-methoxy-2-propyl acetate 78.34
    2-(2-methoxypropoxy) propanol 110.34
    mesitylene 14.17
    ε-caprolactone 91.21
    p-cymene 29.64
    epichlorohydrin 82.37
    1,1,1-trichloroethane 75.41
    2-aminoethanol 167.41
    morpholine-4-carbaldehyde 96.24
    sulfolane 103.6
    2,2,4-trimethylpentane 21.58
    2-methyltetrahydrofuran 100.99
    n-hexyl acetate 78.11
    isooctane 14.45
    2-(2-butoxyethoxy)ethanol 146.47
    sec-butyl acetate 38.83
    tert-butyl acetate 59.71
    decalin 12.46
    glycerin 189.72
    diglyme 163.86
    acrylic acid 151.51
    isopropyl myristate 35.55
    n-butyric acid 177.46
    acetyl acetate 48.95
    di(2-ethylhexyl) phthalate 41.02
    ethyl propionate 47.92
    nitromethane 122.76
    1,2-diethoxyethane 58.26
    benzonitrile 37.92
    trioctyl phosphate 35.1
    1-bromopropane 44.97
    gamma-valerolactone 112.73
    n-decanol 54.38
    triethyl phosphate 40.93
    4-methyl-2-pentanol 65.64
    propionitrile 66.06
    vinylene carbonate 66.13
    1,1,2-trichlorotrifluoroethane 150.48
    DMS 40.23
    cumene 18.63
    2-octanol 63.99
    2-hexanone 41.43
    octyl acetate 48.67
    limonene 43.11
    1,2-dimethoxyethane 80.57
    ethyl orthosilicate 44.85
    tributyl phosphate 36.88
    diacetone alcohol 94.02
    N,N-dimethylaniline 32.15
    acrylonitrile 66.79
    aniline 48.83
    1,3-propanediol 174.41
    bromobenzene 22.37
    dibromomethane 75.75
    1,1,2,2-tetrachloroethane 100.37
    2-methyl-cyclohexyl acetate 66.34
    tetrabutyl urea 37.32
    diisobutyl methanol 60.38
    2-phenylethanol 59.66
    styrene 16.17
    dioctyl adipate 48.57
    dimethyl sulfate 34.1
    ethyl butyrate 71.94
    methyl lactate 67.53
    butyl lactate 73.79
    diethyl carbonate 47.64
    propanediol butyl ether 133.7
    triethyl orthoformate 61.25
    p-tert-butyltoluene 31.98
    methyl 4-tert-butylbenzoate 76.68
    morpholine 109.95
    tert-butylamine 123.07
    n-dodecanol 40.58
    dimethoxymethane 45.66
    ethylene carbonate 54.87
    cyrene 75.27
    2-ethoxyethyl acetate 57.46
    2-ethylhexyl acetate 58.55
    1,2,4-trichlorobenzene 43.82
    4-methylpyridine 44.86
    dibutyl ether 50.59
    2,6-dimethyl-4-heptanol 60.38
    DEF 58.79
    dimethyl isosorbide 120.19
    tetrachloroethylene 83.56
    eugenol 81.83
    triacetin 74.24
    span 80 125.53
    1,4-butanediol 63.63
    1,1-dichloroethane 68.28
    2-methyl-1-pentanol 70.09
    methyl formate 46.89
    2-methyl-1-butanol 115.57
    n-decane 14.52
    butyronitrile 67.14
    3,7-dimethyl-1-octanol 74.89
    1-chlorooctane 37.54
    1-chlorotetradecane 16.06
    n-nonane 14.88
    undecane 10.77
    tert-butylcyclohexane 17.99
    cyclooctane 9.61
    cyclopentanol 108.53
    tetrahydropyran 80.25
    tert-amyl methyl ether 75.47
    2,5,8-trioxanonane 115.82
    1-hexene 42.63
    2-isopropoxyethanol 78.89
    2,2,2-trifluoroethanol 118.31
    methyl butyrate 57.93

    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