Isopentane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    78-78-4

    Molecular formula
    C5H12

    SMILES
    CCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Ethereal 59.94%
    Gassy 45.96%
    Fresh 41.58%
    Sweet 35.37%
    Solvent 34.99%
    Camphoreous 33.06%
    Pungent 26.73%
    Musty 25.19%
    Fermented 24.35%
    Mint 23.26%

     

    Flavor
    Alkane 36.68%
    Ethereal 31.92%
    Fishy 30.92%
    Gasoline 30.55%
    Solvent 23.71%
    Pungent 22.74%
    Ammonia 21.74%
    Rotten 21.4%
    Glue 19.89%
    Bloody 19.82%

     

    Odor impact est.
    Low

    Odor threshold

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

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.33 (weak base)

    Molecular weight
    72.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -255.8 °F (NTP, 1992)
    • -159.8 °C
    • -160 °C

    Boiling point

    • 82 °F at 760 mmHg (NTP, 1992)
    • 27.83 °C
    • 28 °C

    Flash point

    • -50.85 ˚C est.
    • -70 °F (NTP, 1992)
    • -51 °C (-60 °F) - closed cup
    • <-60 °F (<-51 °C) - closed cup

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • In water, 48 mg/L at 25 °C
    • In water, 49.6 mg/L at 25 °C
    • Insoluble in water
    • Miscible with alcohol, ether
    • Soluble in hydrocarbons, oils, ether; very slightly soluble in alcohol
    • Solubility in water: none

  • Synonyms

    • ISOPENTANE
    • 2-Methylbutane
    • 78-78-4
    • Isoamylhydride
    • Butane, 2-methyl-
    • iso-Pentane
    • 1,1,2-Trimethylethane
    • Dimethylethylmethane
    • Ethyldimethylmethane
    • methylbutane
    • 1,1-dimethylpropane
    • iso-C5H12
    • HSDB 618
    • NSC 119476
    • EINECS 201-142-8
    • butane, 2-methyl
    • UNII-ZH67814I0O
    • 2-METHYLBUTANE-2-D1
    • (CH3)2CH-CH2-CH3
    • CHEBI:30362
    • AI3-28787
    • ZH67814I0O
    • NSC-119476
    • R-601a
    • EC 201-142-8
    • NSC119476
    • 13221-81-3
    • ISO PENTANE
    • 2-methyl-butane
    • 2-Methylbutane, ReagentPlus(R), >=99%
    • Isopropentane
    • Isoamyl hydride
    • Field butane
    • 1-Pentane
    • Exxsol isopentane S
    • MFCD00009338
    • 1,2-Trimethylethane
    • Butane (field grade)
    • Ethyl dimethyl methane
    • 1,1,2-Trimethylbutane
    • ISOPENTANE [HSDB]
    • BUTYL, 3-METHYL-
    • (CH3)2CHCH2CH3
    • CHEMBL1797287
    • DTXSID8025468
    • DTXSID60195860
    • DTXSID401316767
    • WLN: 2Y1&1
    • 2-Methylbutane, SAJ special grade
    • 2-Methylbutane, analytical standard
    • EINECS 271-009-7
    • 2-Methylbutane, anhydrous, >=99%
    • AKOS015841718
    • 2-Methylbutane, for HPLC, >=99.5%
    • 2-Methylbutane, purum, >=95.0% (GC)
    • M0167
    • NS00003083
    • 2-Methylbutane, SAJ first grade, >=99.0%
    • 2-Methylbutane, puriss. p.a., >=99.5% (GC)
    • 2-Methylbutane, spectrophotometric grade, >=99%
    • Q422703
    • InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H
    • 201-142-8
    • 2492-33-3
    • 61G

  • Applications

    Isopentane (CAS 78-78-4) is a low-boiling hydrocarbon widely used as a solvent and processing diluent in several industries. It serves as a blowing agent for polyurethane and polystyrene foams, enabling lightweight insulation and packaging materials. It acts as a fast-evaporating solvent in coatings, inks, and adhesives. It is used for cleaning and degreasing in industrial equipment and electronics assembly. It also functions as a diluent or carrier in polymer manufacturing and resin formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.5
    methanol 97.71
    isopropanol 173.88
    water 0.07
    ethyl acetate 292.61
    n-propanol 203.5
    acetone 125.55
    n-butanol 265.15
    acetonitrile 114.9
    DMF 84.91
    toluene 186.15
    isobutanol 152.56
    1,4-dioxane 335.92
    methyl acetate 162.96
    THF 636.7
    2-butanone 221.42
    n-pentanol 170.04
    sec-butanol 254.8
    n-hexane 394.42
    ethylene glycol 19.24
    NMP 151.06
    cyclohexane 351.91
    DMSO 96.14
    n-butyl acetate 691.79
    n-octanol 215.07
    chloroform 594.25
    n-propyl acetate 183.36
    acetic acid 91.49
    dichloromethane 365.5
    cyclohexanone 308.22
    propylene glycol 55.1
    isopropyl acetate 229.34
    DMAc 119.42
    2-ethoxyethanol 120.46
    isopentanol 241.58
    n-heptane 714.58
    ethyl formate 87.57
    1,2-dichloroethane 231.24
    n-hexanol 569.25
    2-methoxyethanol 165.79
    isobutyl acetate 141.85
    tetrachloromethane 182.2
    n-pentyl acetate 226.83
    transcutol 623.99
    n-heptanol 232.73
    ethylbenzene 119.57
    MIBK 173.4
    2-propoxyethanol 400.55
    tert-butanol 271.23
    MTBE 389.33
    2-butoxyethanol 232.21
    propionic acid 117.98
    o-xylene 117.86
    formic acid 15.49
    diethyl ether 446.35
    m-xylene 131.0
    p-xylene 124.96
    chlorobenzene 189.78
    dimethyl carbonate 39.01
    n-octane 165.71
    formamide 19.91
    cyclopentanone 300.07
    2-pentanone 235.65
    anisole 151.17
    cyclopentyl methyl ether 376.58
    gamma-butyrolactone 225.29
    1-methoxy-2-propanol 186.96
    pyridine 276.11
    3-pentanone 200.5
    furfural 185.68
    n-dodecane 83.22
    diethylene glycol 142.11
    diisopropyl ether 220.59
    tert-amyl alcohol 335.01
    acetylacetone 176.14
    n-hexadecane 90.03
    acetophenone 114.07
    methyl propionate 151.02
    isopentyl acetate 474.3
    trichloroethylene 343.59
    n-nonanol 207.67
    cyclohexanol 258.4
    benzyl alcohol 89.12
    2-ethylhexanol 543.11
    isooctanol 189.29
    dipropyl ether 863.95
    1,2-dichlorobenzene 164.12
    ethyl lactate 74.98
    propylene carbonate 178.61
    n-methylformamide 46.28
    2-pentanol 254.65
    n-pentane 292.67
    1-propoxy-2-propanol 521.18
    1-methoxy-2-propyl acetate 365.27
    2-(2-methoxypropoxy) propanol 255.98
    mesitylene 95.42
    ε-caprolactone 283.83
    p-cymene 188.23
    epichlorohydrin 269.43
    1,1,1-trichloroethane 373.11
    2-aminoethanol 57.61
    morpholine-4-carbaldehyde 172.57
    sulfolane 217.36
    2,2,4-trimethylpentane 125.07
    2-methyltetrahydrofuran 593.93
    n-hexyl acetate 297.75
    isooctane 98.6
    2-(2-butoxyethoxy)ethanol 332.65
    sec-butyl acetate 172.66
    tert-butyl acetate 263.01
    decalin 138.18
    glycerin 55.73
    diglyme 433.87
    acrylic acid 74.48
    isopropyl myristate 175.11
    n-butyric acid 233.95
    acetyl acetate 160.91
    di(2-ethylhexyl) phthalate 110.97
    ethyl propionate 185.17
    nitromethane 91.47
    1,2-diethoxyethane 468.19
    benzonitrile 141.17
    trioctyl phosphate 95.14
    1-bromopropane 410.08
    gamma-valerolactone 254.89
    n-decanol 169.1
    triethyl phosphate 158.83
    4-methyl-2-pentanol 161.75
    propionitrile 186.88
    vinylene carbonate 118.68
    1,1,2-trichlorotrifluoroethane 179.95
    DMS 120.19
    cumene 90.44
    2-octanol 169.01
    2-hexanone 209.46
    octyl acetate 201.91
    limonene 360.71
    1,2-dimethoxyethane 259.8
    ethyl orthosilicate 183.59
    tributyl phosphate 124.54
    diacetone alcohol 213.96
    N,N-dimethylaniline 106.87
    acrylonitrile 128.07
    aniline 154.16
    1,3-propanediol 98.03
    bromobenzene 221.82
    dibromomethane 376.62
    1,1,2,2-tetrachloroethane 372.35
    2-methyl-cyclohexyl acetate 267.07
    tetrabutyl urea 132.3
    diisobutyl methanol 286.53
    2-phenylethanol 207.59
    styrene 135.51
    dioctyl adipate 186.84
    dimethyl sulfate 45.99
    ethyl butyrate 455.2
    methyl lactate 63.01
    butyl lactate 159.31
    diethyl carbonate 241.25
    propanediol butyl ether 150.69
    triethyl orthoformate 355.77
    p-tert-butyltoluene 190.97
    methyl 4-tert-butylbenzoate 164.34
    morpholine 383.13
    tert-butylamine 285.06
    n-dodecanol 143.47
    dimethoxymethane 105.4
    ethylene carbonate 113.8
    cyrene 104.69
    2-ethoxyethyl acetate 211.27
    2-ethylhexyl acetate 451.86
    1,2,4-trichlorobenzene 185.87
    4-methylpyridine 225.66
    dibutyl ether 510.91
    2,6-dimethyl-4-heptanol 286.53
    DEF 208.23
    dimethyl isosorbide 319.33
    tetrachloroethylene 231.61
    eugenol 142.82
    triacetin 189.06
    span 80 297.94
    1,4-butanediol 35.38
    1,1-dichloroethane 303.09
    2-methyl-1-pentanol 190.64
    methyl formate 30.47
    2-methyl-1-butanol 235.97
    n-decane 146.25
    butyronitrile 246.49
    3,7-dimethyl-1-octanol 273.49
    1-chlorooctane 246.46
    1-chlorotetradecane 113.94
    n-nonane 171.8
    undecane 105.03
    tert-butylcyclohexane 137.75
    cyclooctane 174.43
    cyclopentanol 213.92
    tetrahydropyran 597.58
    tert-amyl methyl ether 356.42
    2,5,8-trioxanonane 321.82
    1-hexene 500.33
    2-isopropoxyethanol 130.07
    2,2,2-trifluoroethanol 26.35
    methyl butyrate 199.89

    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