n-Butyl iodide

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  • Identifiers

    CAS number
    542-69-8

    Molecular formula
    C4H9I

    SMILES
    CCCCI

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Sweet 57.58%
    Cheesy 56.76%
    Oily 47.07%
    Fermented 44.53%
    Fatty 44.08%
    Musty 44.03%
    Fishy 43.48%
    Fresh 42.22%
    Green 38.88%
    Fruity 38.32%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    184.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    125°C

    Flash point est.
    35.38 ˚C

  • Synonyms

    • 1-Iodobutane
    • Butyl iodide
    • 542-69-8
    • N-BUTYL IODIDE
    • Butane, 1-iodo-
    • 1-iodo-butane
    • 1-Jodbutan
    • Butane, iodo-
    • IODOBUTANE
    • 1-Jodbutan [Czech]
    • NSC 8420
    • EINECS 208-824-4
    • MFCD00001098
    • 25267-27-0
    • AI3-52403
    • 607A6CC46R
    • NSC-8420
    • N-BUTYL IODIDE [MI]
    • DTXSID70862157
    • butyliodide
    • n-butyliodide
    • 1iodobutane
    • butyl iodine
    • l-iodobutane
    • UNII-607A6CC46R
    • 1-iodanylbutane
    • Iodo-butane
    • 1Jodbutan
    • 4-iodobutane
    • 1-butyl iodide
    • 1-iodo-n-butane
    • Butane, 1iodo
    • n-BuI
    • 1-Iodobutane, 99%
    • n-C4H9I
    • SCHEMBL68454
    • Iodobutane stabilized over Cu
    • WLN: I4
    • DTXCID20810961
    • NSC8420
    • STR06741
    • BBL027320
    • STL146551
    • AKOS000118761
    • DB-030743
    • I0055
    • NS00042764
    • EN300-19286
    • G77209
    • A830073
    • Q2537889
    • F2190-0174
    • 208-824-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.56
    methanol 290.73
    isopropanol 332.53
    water 0.28
    ethyl acetate 521.2
    n-propanol 383.03
    acetone 751.0
    n-butanol 472.46
    acetonitrile 358.61
    DMF 376.87
    toluene 650.75
    isobutanol 299.44
    1,4-dioxane 1165.28
    methyl acetate 378.4
    THF 2001.44
    2-butanone 595.5
    n-pentanol 349.35
    sec-butanol 338.7
    n-hexane 268.52
    ethylene glycol 67.45
    NMP 571.4
    cyclohexane 716.13
    DMSO 667.5
    n-butyl acetate 871.82
    n-octanol 307.78
    chloroform 1284.69
    n-propyl acetate 454.02
    acetic acid 397.21
    dichloromethane 1094.07
    cyclohexanone 1158.82
    propylene glycol 98.05
    isopropyl acetate 362.76
    DMAc 328.8
    2-ethoxyethanol 390.4
    isopentanol 377.64
    n-heptane 567.39
    ethyl formate 284.64
    1,2-dichloroethane 721.61
    n-hexanol 641.09
    2-methoxyethanol 487.22
    isobutyl acetate 354.13
    tetrachloromethane 422.49
    n-pentyl acetate 490.24
    transcutol 1434.64
    n-heptanol 309.56
    ethylbenzene 277.95
    MIBK 416.38
    2-propoxyethanol 688.65
    tert-butanol 461.04
    MTBE 506.84
    2-butoxyethanol 421.78
    propionic acid 262.28
    o-xylene 349.31
    formic acid 70.63
    diethyl ether 758.41
    m-xylene 386.46
    p-xylene 328.17
    chlorobenzene 557.45
    dimethyl carbonate 130.76
    n-octane 171.55
    formamide 105.1
    cyclopentanone 1139.94
    2-pentanone 659.74
    anisole 430.59
    cyclopentyl methyl ether 1013.88
    gamma-butyrolactone 853.72
    1-methoxy-2-propanol 396.32
    pyridine 980.29
    3-pentanone 497.0
    furfural 703.64
    n-dodecane 92.17
    diethylene glycol 359.35
    diisopropyl ether 306.36
    tert-amyl alcohol 375.53
    acetylacetone 534.21
    n-hexadecane 105.13
    acetophenone 380.08
    methyl propionate 327.26
    isopentyl acetate 669.34
    trichloroethylene 1134.49
    n-nonanol 275.17
    cyclohexanol 672.09
    benzyl alcohol 304.48
    2-ethylhexanol 500.13
    isooctanol 265.82
    dipropyl ether 885.9
    1,2-dichlorobenzene 441.52
    ethyl lactate 156.41
    propylene carbonate 470.08
    n-methylformamide 198.38
    2-pentanol 373.47
    n-pentane 318.31
    1-propoxy-2-propanol 667.21
    1-methoxy-2-propyl acetate 571.18
    2-(2-methoxypropoxy) propanol 372.27
    mesitylene 285.53
    ε-caprolactone 787.31
    p-cymene 332.55
    epichlorohydrin 954.2
    1,1,1-trichloroethane 847.21
    2-aminoethanol 130.56
    morpholine-4-carbaldehyde 649.69
    sulfolane 873.04
    2,2,4-trimethylpentane 121.25
    2-methyltetrahydrofuran 1344.03
    n-hexyl acetate 536.35
    isooctane 115.94
    2-(2-butoxyethoxy)ethanol 548.39
    sec-butyl acetate 328.93
    tert-butyl acetate 456.85
    decalin 186.82
    glycerin 125.02
    diglyme 947.06
    acrylic acid 212.95
    isopropyl myristate 277.29
    n-butyric acid 480.02
    acetyl acetate 312.42
    di(2-ethylhexyl) phthalate 209.79
    ethyl propionate 318.52
    nitromethane 426.85
    1,2-diethoxyethane 905.69
    benzonitrile 426.5
    trioctyl phosphate 178.58
    1-bromopropane 724.01
    gamma-valerolactone 1065.61
    n-decanol 224.07
    triethyl phosphate 234.3
    4-methyl-2-pentanol 231.22
    propionitrile 338.38
    vinylene carbonate 368.32
    1,1,2-trichlorotrifluoroethane 501.3
    DMS 277.44
    cumene 196.01
    2-octanol 242.79
    2-hexanone 536.79
    octyl acetate 309.26
    limonene 541.11
    1,2-dimethoxyethane 756.41
    ethyl orthosilicate 263.38
    tributyl phosphate 213.88
    diacetone alcohol 418.59
    N,N-dimethylaniline 287.96
    acrylonitrile 311.63
    aniline 429.6
    1,3-propanediol 243.88
    bromobenzene 635.36
    dibromomethane 987.06
    1,1,2,2-tetrachloroethane 895.9
    2-methyl-cyclohexyl acetate 452.56
    tetrabutyl urea 282.16
    diisobutyl methanol 352.64
    2-phenylethanol 420.06
    styrene 353.19
    dioctyl adipate 330.69
    dimethyl sulfate 185.12
    ethyl butyrate 572.53
    methyl lactate 139.74
    butyl lactate 293.94
    diethyl carbonate 312.11
    propanediol butyl ether 317.93
    triethyl orthoformate 430.67
    p-tert-butyltoluene 340.13
    methyl 4-tert-butylbenzoate 337.94
    morpholine 1154.03
    tert-butylamine 339.83
    n-dodecanol 193.76
    dimethoxymethane 420.73
    ethylene carbonate 341.81
    cyrene 336.96
    2-ethoxyethyl acetate 527.05
    2-ethylhexyl acetate 638.29
    1,2,4-trichlorobenzene 504.81
    4-methylpyridine 791.22
    dibutyl ether 556.24
    2,6-dimethyl-4-heptanol 352.64
    DEF 461.24
    dimethyl isosorbide 699.47
    tetrachloroethylene 688.24
    eugenol 314.84
    triacetin 393.48
    span 80 443.44
    1,4-butanediol 121.24
    1,1-dichloroethane 767.89
    2-methyl-1-pentanol 317.22
    methyl formate 171.36
    2-methyl-1-butanol 341.54
    n-decane 151.02
    butyronitrile 472.31
    3,7-dimethyl-1-octanol 349.7
    1-chlorooctane 342.63
    1-chlorotetradecane 160.01
    n-nonane 178.3
    undecane 111.64
    tert-butylcyclohexane 161.39
    cyclooctane 299.9
    cyclopentanol 578.85
    tetrahydropyran 1592.74
    tert-amyl methyl ether 429.5
    2,5,8-trioxanonane 668.46
    1-hexene 477.27
    2-isopropoxyethanol 337.09
    2,2,2-trifluoroethanol 112.96
    methyl butyrate 420.79

    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