Neopentyl glycol

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  • Identifiers

    CAS number
    126-30-7

    Molecular formula
    C5H12O2

    SMILES
    CC(C)(CO)CO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fermented 52.86%
    Alcoholic 52.76%
    Ethereal 47.76%
    Fruity 36.96%
    Solvent 36.29%
    Oily 35.13%
    Camphoreous 32.0%
    Sweet 31.39%
    Musty 27.87%
    Pungent 27.13%

     

    Flavor
    Bitter 51.25%
    Sweet 47.79%
    Alcoholic 36.85%
    Fruity 29.13%
    Ether 28.94%
    Pungent 28.73%
    Musty 28.67%
    Fusel 25.42%
    Wine 22.63%
    Alcohol 22.11%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.34 (weak base)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 260.6 °F (USCG, 1999)
    • 129.3 °C
    • 127 °C

    Boiling point

    • 406.4 °F at 760 mmHg (USCG, 1999)
    • 207 °C
    • 210 °C

    Flash point

    • 107.56 ˚C est.
    • 225 °F (USCG, 1999)
    • 265 °F (129 °C) (open cup)
    • 107 °C

    Solubility expt.

    • In water, 83 g/100 mL at 20 °C
    • Solubility in water approximately 65% wet weight
    • Soluble in water
    • Freely soluble in alcohol, ether
    • For more Solubility (Complete) data for Neopentyl glycol (6 total), please visit the HSDB record page.
    • Solubility in water, g/100ml at 20 °C: 83

  • Synonyms

    • Neopentyl glycol
    • 126-30-7
    • 2,2-Dimethylpropane-1,3-diol
    • 2,2-DIMETHYL-1,3-PROPANEDIOL
    • Dimethylolpropane
    • 1,3-Propanediol, 2,2-dimethyl-
    • Neopentanediol
    • Neopentylene glycol
    • Neopentylglycol
    • Neol
    • Dimethyltrimethylene glycol
    • Hydroxypivalyl alcohol
    • 2,2-Dimethyltrimethylene glycol
    • Nexcoat 600
    • 2,2-Dimethyl-1,3 propanediol
    • QI80HXD6S5
    • DTXSID8027036
    • ORISTAR NPG
    • NSC-6366
    • 1,3-Dihydroxy-2,2-dimethylpropane
    • NSC-55836
    • NEOPENTYLGLYCOL ECAILLES
    • DTXCID007036
    • CHEBI:143768
    • dimethylol propane
    • RefChem:165329
    • 204-781-0
    • NPG Glycol
    • MFCD00004685
    • NSC 55836
    • 2,2-dimethyl-1,3-propandiol
    • 2,3 propanediol
    • WLN: Q1X1 & 1 & 1Q
    • 77498-68-1
    • CAS-126-30-7
    • CCRIS 3273
    • EINECS 204-781-0
    • Propanediol, 2,2-dimethyl-, 1,3-
    • UNII-QI80HXD6S5
    • BRN 0605291
    • 2,2-Bis(hydroxymethyl)propane
    • AI3-05739
    • Neopentyl glycolNPG
    • 2,2-dimethylolpropane
    • EC 204-781-0
    • SCHEMBL19621
    • CBDivE_004836
    • 4-01-00-02551 (Beilstein Handbook Reference)
    • NEOPENTYL GLYCOL [MI]
    • SCHEMBL333642
    • 2,2-dimethylpropan-1,3-diol
    • orb3023454
    • SCHEMBL1032719
    • SCHEMBL1099338
    • SCHEMBL1436764
    • SCHEMBL2226249
    • SCHEMBL7969066
    • 2,2-dimethyl 1,3-propanediol
    • 2.2-dimethyl-1,3-propanediol
    • 2,3-Dimethyl-1,3-propanediol
    • CHEMBL3184801
    • HSDB 8424
    • 2,2-dimethyl -1,3-propanediol
    • 2,2-dimethyl-1,3-propane diol
    • 2,2-dimethyl-propane-1,3-diol
    • NSC6366
    • MSK14152
    • NSC55836
    • 2,2-Dihydroxy-2,2-dimethylpropane
    • 2,2-Dimethyl-1,3-dihydroxypropane
    • Tox21_201363
    • Tox21_303298
    • SBB056814
    • AKOS005068060
    • MSK14152-100M
    • CS-W011300
    • FD54856
    • MSK14152-1000M
    • 2,2-Dimethyl-1,3-propanediol, 99%
    • NCGC00249034-01
    • NCGC00256980-01
    • NCGC00258915-01
    • AS-13611
    • DIMETHYL-1,3-PROPANEDIOL, 2,2-
    • D0791
    • NS00003307
    • ST50982294
    • EN300-30502
    • D71071
    • F235831
    • Q413855
    • F0001-0385
    • 2,2-Dimethyl-1,3-propanediol Solution in Methanol, 1000ug/mL
    • 2,2-Dimethyl-1,3-propanediol Solution in Methanol, 100ug/mL
    • InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H
    • 126-30-7

  • Applications

    Neopentyl glycol (CAS 126-30-7) is a diol widely used as an intermediate in polymer and plastic resin production. Real-world applications typically include: (1) production of polyesters and alkyd resins for coatings, imparting durability and chemical resistance; (2) a precursor to neopentyl glycol esters such as neopentyl glycol dibenzoate, used as a plasticizer for PVC and other polymers; (3) a diol chain extender or crosslinking agent in polyurethane and polyester formulations to enhance mechanical properties; (4) a component in lubricants and high-temperature hydraulic fluids with good hydrolytic stability; (5) a building block for specialty resins used in coatings and electronics encapsulation. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.48
    methanol 203.88
    isopropanol 95.9
    water 93.25
    ethyl acetate 25.43
    n-propanol 143.93
    acetone 19.82
    n-butanol 142.88
    acetonitrile 18.85
    DMF 51.02
    toluene 2.77
    isobutanol 83.53
    1,4-dioxane 46.89
    methyl acetate 26.86
    THF 80.6
    2-butanone 28.1
    n-pentanol 47.13
    sec-butanol 99.76
    n-hexane 4.12
    ethylene glycol 110.79
    NMP 72.25
    cyclohexane 5.36
    DMSO 54.04
    n-butyl acetate 18.03
    n-octanol 29.19
    chloroform 44.58
    n-propyl acetate 15.09
    acetic acid 228.44
    dichloromethane 23.89
    cyclohexanone 36.55
    propylene glycol 130.91
    isopropyl acetate 15.89
    DMAc 53.48
    2-ethoxyethanol 90.03
    isopentanol 72.77
    n-heptane 7.5
    ethyl formate 32.23
    1,2-dichloroethane 12.88
    n-hexanol 53.54
    2-methoxyethanol 196.72
    isobutyl acetate 9.8
    tetrachloromethane 17.79
    n-pentyl acetate 17.03
    transcutol 137.74
    n-heptanol 44.8
    ethylbenzene 2.56
    MIBK 16.94
    2-propoxyethanol 90.98
    tert-butanol 87.97
    MTBE 26.57
    2-butoxyethanol 75.99
    propionic acid 124.08
    o-xylene 4.34
    formic acid 241.8
    diethyl ether 26.9
    m-xylene 3.86
    p-xylene 3.94
    chlorobenzene 5.64
    dimethyl carbonate 8.72
    n-octane 3.03
    formamide 167.25
    cyclopentanone 50.04
    2-pentanone 24.92
    anisole 8.72
    cyclopentyl methyl ether 33.44
    gamma-butyrolactone 60.64
    1-methoxy-2-propanol 115.01
    pyridine 20.4
    3-pentanone 19.0
    furfural 55.25
    n-dodecane 1.76
    diethylene glycol 99.83
    diisopropyl ether 9.26
    tert-amyl alcohol 86.96
    acetylacetone 19.33
    n-hexadecane 1.77
    acetophenone 11.4
    methyl propionate 25.69
    isopentyl acetate 16.32
    trichloroethylene 29.14
    n-nonanol 25.27
    cyclohexanol 63.97
    benzyl alcohol 15.94
    2-ethylhexanol 28.17
    isooctanol 32.85
    dipropyl ether 19.78
    1,2-dichlorobenzene 6.96
    ethyl lactate 22.92
    propylene carbonate 35.84
    n-methylformamide 67.8
    2-pentanol 71.25
    n-pentane 7.01
    1-propoxy-2-propanol 67.49
    1-methoxy-2-propyl acetate 23.93
    2-(2-methoxypropoxy) propanol 44.48
    mesitylene 3.77
    ε-caprolactone 44.95
    p-cymene 5.73
    epichlorohydrin 41.2
    1,1,1-trichloroethane 15.82
    2-aminoethanol 184.92
    morpholine-4-carbaldehyde 68.05
    sulfolane 76.95
    2,2,4-trimethylpentane 5.4
    2-methyltetrahydrofuran 51.89
    n-hexyl acetate 23.23
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 67.64
    sec-butyl acetate 10.97
    tert-butyl acetate 20.2
    decalin 2.55
    glycerin 203.52
    diglyme 82.85
    acrylic acid 114.16
    isopropyl myristate 9.19
    n-butyric acid 127.61
    acetyl acetate 16.32
    di(2-ethylhexyl) phthalate 12.95
    ethyl propionate 14.8
    nitromethane 86.15
    1,2-diethoxyethane 21.17
    benzonitrile 9.97
    trioctyl phosphate 12.07
    1-bromopropane 11.21
    gamma-valerolactone 66.96
    n-decanol 17.2
    triethyl phosphate 12.67
    4-methyl-2-pentanol 33.2
    propionitrile 22.86
    vinylene carbonate 28.33
    1,1,2-trichlorotrifluoroethane 88.13
    DMS 11.67
    cumene 3.6
    2-octanol 22.63
    2-hexanone 14.28
    octyl acetate 13.28
    limonene 9.51
    1,2-dimethoxyethane 49.21
    ethyl orthosilicate 13.1
    tributyl phosphate 11.4
    diacetone alcohol 48.81
    N,N-dimethylaniline 8.66
    acrylonitrile 24.19
    aniline 17.07
    1,3-propanediol 219.32
    bromobenzene 3.8
    dibromomethane 17.35
    1,1,2,2-tetrachloroethane 30.37
    2-methyl-cyclohexyl acetate 17.98
    tetrabutyl urea 12.7
    diisobutyl methanol 17.05
    2-phenylethanol 18.67
    styrene 2.43
    dioctyl adipate 14.68
    dimethyl sulfate 17.51
    ethyl butyrate 18.65
    methyl lactate 34.87
    butyl lactate 29.07
    diethyl carbonate 11.38
    propanediol butyl ether 67.46
    triethyl orthoformate 16.51
    p-tert-butyltoluene 6.38
    methyl 4-tert-butylbenzoate 27.55
    morpholine 81.6
    tert-butylamine 52.55
    n-dodecanol 12.08
    dimethoxymethane 30.73
    ethylene carbonate 23.52
    cyrene 43.21
    2-ethoxyethyl acetate 21.24
    2-ethylhexyl acetate 12.57
    1,2,4-trichlorobenzene 10.1
    4-methylpyridine 12.63
    dibutyl ether 12.96
    2,6-dimethyl-4-heptanol 17.05
    DEF 34.56
    dimethyl isosorbide 54.84
    tetrachloroethylene 32.04
    eugenol 30.71
    triacetin 24.96
    span 80 49.85
    1,4-butanediol 65.04
    1,1-dichloroethane 13.9
    2-methyl-1-pentanol 33.6
    methyl formate 36.82
    2-methyl-1-butanol 84.44
    n-decane 3.12
    butyronitrile 27.25
    3,7-dimethyl-1-octanol 22.43
    1-chlorooctane 8.31
    1-chlorotetradecane 3.35
    n-nonane 3.09
    undecane 2.21
    tert-butylcyclohexane 3.41
    cyclooctane 2.79
    cyclopentanol 82.43
    tetrahydropyran 40.14
    tert-amyl methyl ether 28.62
    2,5,8-trioxanonane 59.55
    1-hexene 7.96
    2-isopropoxyethanol 51.19
    2,2,2-trifluoroethanol 120.24
    methyl butyrate 19.95

    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