Perfluoroisobutylene

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  • Identifiers

    CAS number
    382-21-8

    Molecular formula
    C4F8

    SMILES
    C(=C(F)F)(C(F)(F)F)C(F)(F)F

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Odorless 45.69%
    Sweet 28.16%
    Woody 24.34%
    Cooling 23.42%
    Balsamic 21.76%
    Fresh 18.23%
    Savory 18.18%
    Fishy 18.01%
    Dry 17.45%
    Animal 16.96%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    200.03 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -130 °C
    • -202 °F

    Boiling point

    • 7 °C
    • 44.6 °F

    Flash point est.
    -16.92 ˚C

    Solubility expt.

    • Decomposes in water

  • Synonyms

    • Perfluoroisobutylene
    • Octafluoroisobutylene
    • Octafluoro-sec-butene
    • Perfluoroisobutene
    • PFIB
    • 382-21-8
    • Isobutene, octafluoro-
    • Perfluoro-2-methylpropene
    • UNII-1J9BGS6NTY
    • 1J9BGS6NTY
    • Octafluoroisobutene
    • Perfluorisobutylene
    • BRN 1783426
    • 1-PROPENE, 1,1,3,3,3-PENTAFLUORO-2-(TRIFLUOROMETHYL)-
    • HSDB 7708
    • DTXSID4073176
    • 1,1-Difluoro-2,2-bis(trifluoromethyl)ethene
    • PERFLUOROISOBUTYLENE [HSDB]
    • 4-01-00-00802 (Beilstein Handbook Reference)
    • perfluoro-2-(trifluoromethyl)propene
    • 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene
    • 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
    • Propene, pentafluoro-2-(trifluoromethyl)-
    • 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)propene
    • Propene, 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-
    • Octafluorosecbutene
    • Isobutene, octafluoro
    • CHEMBL4634291
    • DTXCID8039453
    • NS00113380
    • 1,1,3,3,3Pentafluoro2trifluoromethyl1propene
    • Q410562
    • 1Propene, 1,1,3,3,3pentafluoro2(trifluoromethyl)
    • 1,1,3,3,3-Pentafluoro-2-trifluoromethyl-1-propene
    • 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-prop-1-ene
    • 1-Propene, 1, 1, 3, 3, 3-pentafluoro-2-(trifluoromethyl)-
    • 609-533-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.33
    methanol 501.91
    isopropanol 236.05
    water 178.57
    ethyl acetate 108.63
    n-propanol 207.07
    acetone 214.61
    n-butanol 158.93
    acetonitrile 171.35
    DMF 719.39
    toluene 35.81
    isobutanol 162.72
    1,4-dioxane 188.39
    methyl acetate 132.72
    THF 453.99
    2-butanone 170.42
    n-pentanol 118.3
    sec-butanol 178.94
    n-hexane 38.34
    ethylene glycol 173.17
    NMP 490.12
    cyclohexane 27.37
    DMSO 768.73
    n-butyl acetate 62.03
    n-octanol 55.42
    chloroform 73.59
    n-propyl acetate 89.71
    acetic acid 112.54
    dichloromethane 84.74
    cyclohexanone 125.04
    propylene glycol 174.18
    isopropyl acetate 87.61
    DMAc 680.51
    2-ethoxyethanol 248.48
    isopentanol 130.76
    n-heptane 30.17
    ethyl formate 110.04
    1,2-dichloroethane 78.74
    n-hexanol 89.3
    2-methoxyethanol 389.53
    isobutyl acetate 52.71
    tetrachloromethane 29.4
    n-pentyl acetate 41.36
    transcutol 160.82
    n-heptanol 51.16
    ethylbenzene 31.35
    MIBK 113.2
    2-propoxyethanol 229.35
    tert-butanol 258.36
    MTBE 159.01
    2-butoxyethanol 106.63
    propionic acid 110.35
    o-xylene 45.83
    formic acid 145.49
    diethyl ether 193.99
    m-xylene 40.14
    p-xylene 35.39
    chlorobenzene 18.98
    dimethyl carbonate 129.69
    n-octane 13.36
    formamide 251.5
    cyclopentanone 196.39
    2-pentanone 148.65
    anisole 77.57
    cyclopentyl methyl ether 199.9
    gamma-butyrolactone 221.94
    1-methoxy-2-propanol 353.81
    pyridine 91.94
    3-pentanone 137.49
    furfural 135.72
    n-dodecane 9.96
    diethylene glycol 201.49
    diisopropyl ether 73.69
    tert-amyl alcohol 188.07
    acetylacetone 115.88
    n-hexadecane 10.05
    acetophenone 70.55
    methyl propionate 155.96
    isopentyl acetate 48.27
    trichloroethylene 64.44
    n-nonanol 52.84
    cyclohexanol 110.6
    benzyl alcohol 66.23
    2-ethylhexanol 50.43
    isooctanol 40.67
    dipropyl ether 111.03
    1,2-dichlorobenzene 18.72
    ethyl lactate 98.78
    propylene carbonate 106.54
    n-methylformamide 341.78
    2-pentanol 134.24
    n-pentane 52.47
    1-propoxy-2-propanol 163.55
    1-methoxy-2-propyl acetate 102.21
    2-(2-methoxypropoxy) propanol 107.43
    mesitylene 33.81
    ε-caprolactone 112.6
    p-cymene 28.14
    epichlorohydrin 190.61
    1,1,1-trichloroethane 48.29
    2-aminoethanol 227.49
    morpholine-4-carbaldehyde 314.43
    sulfolane 286.21
    2,2,4-trimethylpentane 21.79
    2-methyltetrahydrofuran 218.44
    n-hexyl acetate 52.83
    isooctane 18.26
    2-(2-butoxyethoxy)ethanol 112.64
    sec-butyl acetate 59.45
    tert-butyl acetate 91.89
    decalin 16.04
    glycerin 201.57
    diglyme 182.41
    acrylic acid 98.49
    isopropyl myristate 31.47
    n-butyric acid 95.9
    acetyl acetate 49.8
    di(2-ethylhexyl) phthalate 28.24
    ethyl propionate 104.75
    nitromethane 220.42
    1,2-diethoxyethane 84.88
    benzonitrile 46.06
    trioctyl phosphate 27.54
    1-bromopropane 75.24
    gamma-valerolactone 229.41
    n-decanol 43.22
    triethyl phosphate 52.04
    4-methyl-2-pentanol 89.97
    propionitrile 153.53
    vinylene carbonate 81.06
    1,1,2-trichlorotrifluoroethane 134.99
    DMS 51.89
    cumene 30.76
    2-octanol 39.87
    2-hexanone 103.36
    octyl acetate 38.99
    limonene 37.94
    1,2-dimethoxyethane 346.31
    ethyl orthosilicate 51.13
    tributyl phosphate 30.77
    diacetone alcohol 143.9
    N,N-dimethylaniline 103.65
    acrylonitrile 149.08
    aniline 66.47
    1,3-propanediol 184.48
    bromobenzene 14.06
    dibromomethane 67.13
    1,1,2,2-tetrachloroethane 75.38
    2-methyl-cyclohexyl acetate 49.22
    tetrabutyl urea 56.76
    diisobutyl methanol 47.11
    2-phenylethanol 59.3
    styrene 27.49
    dioctyl adipate 39.74
    dimethyl sulfate 189.12
    ethyl butyrate 72.62
    methyl lactate 155.77
    butyl lactate 53.6
    diethyl carbonate 55.18
    propanediol butyl ether 91.56
    triethyl orthoformate 65.06
    p-tert-butyltoluene 29.95
    methyl 4-tert-butylbenzoate 73.0
    morpholine 276.59
    tert-butylamine 199.93
    n-dodecanol 35.93
    dimethoxymethane 449.46
    ethylene carbonate 81.53
    cyrene 134.91
    2-ethoxyethyl acetate 51.05
    2-ethylhexyl acetate 38.81
    1,2,4-trichlorobenzene 23.32
    4-methylpyridine 96.03
    dibutyl ether 51.11
    2,6-dimethyl-4-heptanol 47.11
    DEF 242.83
    dimethyl isosorbide 165.35
    tetrachloroethylene 52.66
    eugenol 75.81
    triacetin 57.26
    span 80 71.46
    1,4-butanediol 110.47
    1,1-dichloroethane 67.55
    2-methyl-1-pentanol 86.42
    methyl formate 223.3
    2-methyl-1-butanol 132.87
    n-decane 14.73
    butyronitrile 119.91
    3,7-dimethyl-1-octanol 45.73
    1-chlorooctane 26.79
    1-chlorotetradecane 15.25
    n-nonane 14.76
    undecane 11.72
    tert-butylcyclohexane 18.49
    cyclooctane 16.04
    cyclopentanol 157.3
    tetrahydropyran 157.7
    tert-amyl methyl ether 153.43
    2,5,8-trioxanonane 152.17
    1-hexene 63.01
    2-isopropoxyethanol 165.56
    2,2,2-trifluoroethanol 102.93
    methyl butyrate 119.06

    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