Neopentane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    463-82-1

    Molecular formula
    C5H12

    SMILES
    CC(C)(C)C

    Safety labels

    Flammable
    Flammable

    Compressed Gas
    Compressed Gas

    Environmental Hazard
    Environmental

  • Odor profile

    Camphoreous 49.53%
    Woody 33.46%
    Ethereal 33.19%
    Fresh 32.42%
    Mint 30.65%
    Gassy 26.45%
    Solvent 24.66%
    Musty 24.64%
    Pine 22.08%
    Fermented 21.56%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 400.0 [mmHg]. Odor threshold from ACGIH

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    72.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -16.37 °C
    • -16.6 °C

    Boiling point

    • 9.5 °C

    Flash point est.
    -59.48 ˚C

    Flash point expt.

    • less than 19.4 °F

    Solubility expt.

    • In water, 33.2 mg/L at 25 °C
    • Soluble in ethyl alcohol, ethyl ether, carbon tetrachloride
    • Solubility in water: none

  • Synonyms

    • NEOPENTANE
    • 2,2-Dimethylpropane
    • Propane, 2,2-dimethyl-
    • 463-82-1
    • Tetramethylmethane
    • tert-Pentane
    • 1,1,1-Trimethylethane
    • dimethylpropane
    • HSDB 110
    • EINECS 207-343-7
    • UNII-M863R1J0BP
    • BRN 1730722
    • M863R1J0BP
    • 2,2-dimethyl-propane
    • (CH3)4C
    • CHEBI:30358
    • 4-01-00-00333 (Beilstein Handbook Reference)
    • UN2044
    • Tetramethylcarbon
    • Pediocin 5
    • MFCD00039840
    • NEOPENTANE [MI]
    • NEOPENTANE [HSDB]
    • Neo-C5H12
    • 2,2-Dimethylpropane 99%
    • DTXSID6029179
    • DTXSID50190889
    • AKOS006229057
    • UN 2044
    • NS00019816
    • 2,2-Dimethylpropane [UN2044] [Flammable gas]
    • Q422723
    • 207-343-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.59
    methanol 99.46
    isopropanol 122.07
    water 0.82
    ethyl acetate 129.55
    n-propanol 125.0
    acetone 101.28
    n-butanol 147.36
    acetonitrile 64.89
    DMF 131.89
    toluene 100.81
    isobutanol 106.41
    1,4-dioxane 185.21
    methyl acetate 110.01
    THF 324.03
    2-butanone 136.39
    n-pentanol 95.41
    sec-butanol 157.08
    n-hexane 245.89
    ethylene glycol 39.57
    NMP 235.03
    cyclohexane 215.8
    DMSO 80.9
    n-butyl acetate 237.02
    n-octanol 223.96
    chloroform 249.52
    n-propyl acetate 93.29
    acetic acid 97.95
    dichloromethane 133.97
    cyclohexanone 209.49
    propylene glycol 81.59
    isopropyl acetate 124.41
    DMAc 194.29
    2-ethoxyethanol 87.83
    isopentanol 132.95
    n-heptane 448.45
    ethyl formate 52.84
    1,2-dichloroethane 87.82
    n-hexanol 351.82
    2-methoxyethanol 141.37
    isobutyl acetate 93.38
    tetrachloromethane 95.41
    n-pentyl acetate 131.5
    transcutol 316.02
    n-heptanol 196.03
    ethylbenzene 81.43
    MIBK 112.43
    2-propoxyethanol 292.09
    tert-butanol 213.84
    MTBE 244.63
    2-butoxyethanol 177.63
    propionic acid 113.73
    o-xylene 107.86
    formic acid 27.77
    diethyl ether 180.28
    m-xylene 103.4
    p-xylene 97.83
    chlorobenzene 91.49
    dimethyl carbonate 57.16
    n-octane 133.84
    formamide 25.64
    cyclopentanone 219.72
    2-pentanone 131.71
    anisole 119.71
    cyclopentyl methyl ether 263.14
    gamma-butyrolactone 175.21
    1-methoxy-2-propanol 161.93
    pyridine 126.99
    3-pentanone 139.46
    furfural 130.09
    n-dodecane 103.5
    diethylene glycol 132.59
    diisopropyl ether 137.01
    tert-amyl alcohol 252.89
    acetylacetone 116.09
    n-hexadecane 106.55
    acetophenone 100.41
    methyl propionate 120.05
    isopentyl acetate 232.1
    trichloroethylene 151.88
    n-nonanol 218.58
    cyclohexanol 190.21
    benzyl alcohol 65.9
    2-ethylhexanol 337.94
    isooctanol 159.41
    dipropyl ether 393.53
    1,2-dichlorobenzene 100.49
    ethyl lactate 80.6
    propylene carbonate 127.13
    n-methylformamide 54.88
    2-pentanol 151.75
    n-pentane 168.51
    1-propoxy-2-propanol 375.39
    1-methoxy-2-propyl acetate 239.01
    2-(2-methoxypropoxy) propanol 249.87
    mesitylene 94.69
    ε-caprolactone 185.54
    p-cymene 156.36
    epichlorohydrin 141.57
    1,1,1-trichloroethane 175.62
    2-aminoethanol 74.21
    morpholine-4-carbaldehyde 188.31
    sulfolane 212.31
    2,2,4-trimethylpentane 127.64
    2-methyltetrahydrofuran 276.16
    n-hexyl acetate 237.84
    isooctane 103.39
    2-(2-butoxyethoxy)ethanol 248.07
    sec-butyl acetate 103.55
    tert-butyl acetate 190.84
    decalin 129.0
    glycerin 95.36
    diglyme 295.87
    acrylic acid 88.6
    isopropyl myristate 171.64
    n-butyric acid 139.97
    acetyl acetate 96.03
    di(2-ethylhexyl) phthalate 125.96
    ethyl propionate 122.78
    nitromethane 87.06
    1,2-diethoxyethane 176.37
    benzonitrile 74.86
    trioctyl phosphate 114.29
    1-bromopropane 135.08
    gamma-valerolactone 198.1
    n-decanol 184.18
    triethyl phosphate 136.05
    4-methyl-2-pentanol 124.5
    propionitrile 93.89
    vinylene carbonate 90.53
    1,1,2-trichlorotrifluoroethane 159.72
    DMS 129.53
    cumene 84.63
    2-octanol 146.42
    2-hexanone 114.58
    octyl acetate 198.86
    limonene 271.11
    1,2-dimethoxyethane 155.93
    ethyl orthosilicate 143.74
    tributyl phosphate 124.93
    diacetone alcohol 182.55
    N,N-dimethylaniline 122.21
    acrylonitrile 77.39
    aniline 106.08
    1,3-propanediol 86.84
    bromobenzene 98.71
    dibromomethane 134.83
    1,1,2,2-tetrachloroethane 190.14
    2-methyl-cyclohexyl acetate 236.79
    tetrabutyl urea 160.42
    diisobutyl methanol 228.74
    2-phenylethanol 144.69
    styrene 81.17
    dioctyl adipate 178.04
    dimethyl sulfate 73.13
    ethyl butyrate 202.74
    methyl lactate 92.92
    butyl lactate 135.62
    diethyl carbonate 143.52
    propanediol butyl ether 170.67
    triethyl orthoformate 203.55
    p-tert-butyltoluene 182.5
    methyl 4-tert-butylbenzoate 214.05
    morpholine 212.8
    tert-butylamine 206.12
    n-dodecanol 161.51
    dimethoxymethane 114.59
    ethylene carbonate 85.78
    cyrene 144.32
    2-ethoxyethyl acetate 118.82
    2-ethylhexyl acetate 220.47
    1,2,4-trichlorobenzene 130.92
    4-methylpyridine 125.52
    dibutyl ether 261.45
    2,6-dimethyl-4-heptanol 228.74
    DEF 149.78
    dimethyl isosorbide 330.06
    tetrachloroethylene 129.92
    eugenol 159.37
    triacetin 192.65
    span 80 319.12
    1,4-butanediol 40.83
    1,1-dichloroethane 125.96
    2-methyl-1-pentanol 97.88
    methyl formate 42.75
    2-methyl-1-butanol 135.92
    n-decane 148.18
    butyronitrile 99.17
    3,7-dimethyl-1-octanol 241.54
    1-chlorooctane 200.65
    1-chlorotetradecane 121.41
    n-nonane 159.65
    undecane 118.21
    tert-butylcyclohexane 153.77
    cyclooctane 157.76
    cyclopentanol 175.46
    tetrahydropyran 268.09
    tert-amyl methyl ether 267.7
    2,5,8-trioxanonane 263.63
    1-hexene 219.44
    2-isopropoxyethanol 88.6
    2,2,2-trifluoroethanol 41.64
    methyl butyrate 125.36

    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