3-Iodo-2-propynyl butylcarbamate

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  • Identifiers

    CAS number
    55406-53-6

    Molecular formula
    C8H12INO2

    SMILES
    CCCCNC(=O)OCC#CI

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 34.47%
    Savory 33.83%
    Odorless 28.49%
    Roasted 27.27%
    Sulfurous 25.38%
    Cheesy 24.87%
    Cooling 22.31%
    Tropical 20.81%
    Grapefruit 20.68%
    Fruity 20.61%

     

    Flavor
    Odorless 44.69%
    Bitter 35.81%
    Bland 29.39%
    Mild 27.62%
    Sweet-like 20.31%
    Taco 19.35%
    Nitrile 19.26%
    Yeast 19.07%
    Parsley 19.03%
    Acrid 18.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.36 (neutral)

    Molecular weight
    281.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Melting point expt.

    • 66 °C

    Flash point

    • 128.47 ˚C est.

    Solubility expt.

    • In water, 156 mg/L at 20 °C

  • Synonyms

    • 55406-53-6
    • Iodopropynyl butylcarbamate
    • 3-Iodo-2-propynyl butylcarbamate
    • Ipbc
    • Woodlife
    • Troysan KK-108A
    • Caswell No. 501A
    • 3-iodoprop-2-yn-1-yl N-butylcarbamate
    • Butyl-3-iodo-2-propynylcarbamate
    • 3-Iodo-2-propynyl butyl carbamate
    • 603P14DHEB
    • 3-iodo-2-propyn-1-yl N-butylcarbamate
    • Carbamic acid, butyl-3-iodo-2-propynyl ester
    • 3-iodoprop-2-ynyl butylcarbamate
    • 3-IPBC
    • 3-iodo-2-propynyl-butylcarbamate
    • RefChem:502679
    • iodopropynyl butyl carbamate
    • 259-627-5
    • 3-Iodo-2-propynylbutylcarbamate
    • 3-iodoprop-2-yn-1-yl butylcarbamate
    • Iodocarb
    • 3-Iodo-2-propynyl N-butylcarbamate
    • 3-iodoprop-2-ynyl N-butylcarbamate
    • Carbamic acid, butyl-, 3-iodo-2-propynyl ester
    • 1-Iodoprop-1-yn-3-yl N-n-butylcarbamate
    • 3-Iodo-2-propynyl-N-butylcarbamate
    • MFCD00072438
    • C8H12INO2
    • DTXSID0028038
    • 85045-09-6
    • Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester
    • DTXCID908038
    • CAS-55406-53-6
    • 3-Iodo-2-propynyl N-Butylcarbamate-d9
    • HSDB 7314
    • EINECS 259-627-5
    • EPA Pesticide Chemical Code 107801
    • BRN 2248232
    • iodocarbe
    • UNII-603P14DHEB
    • 3-iodo-2-propynyl-N-butyl carbamate
    • 1246815-08-6
    • Iodocarb 100 microg/mL in Acetonitrile
    • 3-IODO-2-PROPYNYLBUTYL CARBAMATE
    • N-Butylcarbamic Acid 3-Iodo-2-propynyl Ester
    • IPBC [MI]
    • SCHEMBL114369
    • CHEMBL1893913
    • CHEBI:83279
    • 3-Iodo-2-propynyl butylcarbamate #
    • 3-iodoprop-2-yn-1-ylbutylcarbamate
    • Tox21_201864
    • Tox21_301117
    • AKOS015905567
    • CS-W010051
    • FI16109
    • GS-3240
    • MSK001628-100M
    • NCGC00164376-01
    • NCGC00164376-02
    • NCGC00164376-03
    • NCGC00164376-04
    • NCGC00164376-05
    • NCGC00255017-01
    • NCGC00259413-01
    • SY052464
    • 3-Iodo-2-propynyl N-butylcarbamate, 97%
    • IODOPROPYNYL BUTYLCARBAMATE [VANDF]
    • 3-IODO-2-PROPYNYL BUTYL CARBBAMATE
    • DB-262370
    • I0666
    • IODOPROPYNYL BUTYL CARBAMATE [MART.]
    • NS00000275
    • 06I536
    • 3-IODO-2-PROPYNYLBUTYLCARBAMATE [HSDB]
    • F050829
    • Q2928998
    • 3-Iodo-2-propynyl N-butylcarbamate, analytical standard
    • 3-Iodo-2-propynyl N-butylcarbamate Solution in Methanol, 100ug/mL
    • 55406-53-6

  • Applications

    3-Iodo-2-propynyl butylcarbamate (CAS number: 55406-53-6) is widely used as an antifungal preservative in coatings and paints, adhesives and sealants to inhibit mold growth on surfaces; it is employed as a biocidal additive in polymers and plastics to control microbial growth in polymer systems and building materials; in wood and wood-protection applications it helps prevent fungal attack on treated wood and wood-based products; it may be used as a preservative in cosmetics and personal care formulations; and in other industrial applications involving coatings, adhesives and plastics it serves as a fungi-controlling preservative, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 176.88
    methanol 226.44
    isopropanol 108.52
    water 1.96
    ethyl acetate 201.57
    n-propanol 116.95
    acetone 637.65
    n-butanol 101.34
    acetonitrile 209.08
    DMF 1824.89
    toluene 60.41
    isobutanol 85.77
    1,4-dioxane 361.17
    methyl acetate 257.26
    THF 611.74
    2-butanone 306.06
    n-pentanol 99.48
    sec-butanol 88.38
    n-hexane 3.29
    ethylene glycol 101.18
    NMP 1141.01
    cyclohexane 6.25
    DMSO 1693.47
    n-butyl acetate 145.12
    n-octanol 40.52
    chloroform 481.92
    n-propyl acetate 179.44
    acetic acid 545.96
    dichloromethane 513.17
    cyclohexanone 426.02
    propylene glycol 101.75
    isopropyl acetate 134.24
    DMAc 1120.77
    2-ethoxyethanol 253.18
    isopentanol 93.17
    n-heptane 3.84
    ethyl formate 201.6
    1,2-dichloroethane 342.11
    n-hexanol 76.16
    2-methoxyethanol 411.09
    isobutyl acetate 114.57
    tetrachloromethane 49.61
    n-pentyl acetate 126.81
    transcutol 553.53
    n-heptanol 48.91
    ethylbenzene 35.84
    MIBK 143.84
    2-propoxyethanol 204.9
    tert-butanol 130.58
    MTBE 94.27
    2-butoxyethanol 145.64
    propionic acid 196.13
    o-xylene 49.86
    formic acid 264.14
    diethyl ether 84.79
    m-xylene 50.71
    p-xylene 58.86
    chlorobenzene 155.52
    dimethyl carbonate 180.33
    n-octane 1.99
    formamide 418.67
    cyclopentanone 701.88
    2-pentanone 246.28
    anisole 156.1
    cyclopentyl methyl ether 177.51
    gamma-butyrolactone 713.63
    1-methoxy-2-propanol 280.87
    pyridine 403.6
    3-pentanone 180.78
    furfural 783.97
    n-dodecane 2.56
    diethylene glycol 227.47
    diisopropyl ether 28.2
    tert-amyl alcohol 103.05
    acetylacetone 476.48
    n-hexadecane 2.94
    acetophenone 222.37
    methyl propionate 208.88
    isopentyl acetate 130.12
    trichloroethylene 901.23
    n-nonanol 39.57
    cyclohexanol 102.74
    benzyl alcohol 167.47
    2-ethylhexanol 50.05
    isooctanol 43.27
    dipropyl ether 51.95
    1,2-dichlorobenzene 165.32
    ethyl lactate 121.92
    propylene carbonate 346.04
    n-methylformamide 452.85
    2-pentanol 64.75
    n-pentane 3.46
    1-propoxy-2-propanol 145.95
    1-methoxy-2-propyl acetate 189.07
    2-(2-methoxypropoxy) propanol 165.47
    mesitylene 32.6
    ε-caprolactone 340.07
    p-cymene 31.32
    epichlorohydrin 620.87
    1,1,1-trichloroethane 244.91
    2-aminoethanol 143.49
    morpholine-4-carbaldehyde 857.18
    sulfolane 1016.39
    2,2,4-trimethylpentane 3.74
    2-methyltetrahydrofuran 278.51
    n-hexyl acetate 126.07
    isooctane 3.1
    2-(2-butoxyethoxy)ethanol 205.33
    sec-butyl acetate 106.0
    tert-butyl acetate 166.32
    decalin 5.92
    glycerin 189.31
    diglyme 430.5
    acrylic acid 280.41
    isopropyl myristate 55.1
    n-butyric acid 224.02
    acetyl acetate 214.56
    di(2-ethylhexyl) phthalate 86.62
    ethyl propionate 139.61
    nitromethane 1124.25
    1,2-diethoxyethane 155.78
    benzonitrile 217.48
    trioctyl phosphate 56.24
    1-bromopropane 93.6
    gamma-valerolactone 841.06
    n-decanol 31.94
    triethyl phosphate 74.73
    4-methyl-2-pentanol 46.39
    propionitrile 129.0
    vinylene carbonate 364.44
    1,1,2-trichlorotrifluoroethane 610.95
    DMS 188.37
    cumene 28.65
    2-octanol 32.98
    2-hexanone 176.69
    octyl acetate 75.31
    limonene 45.98
    1,2-dimethoxyethane 412.29
    ethyl orthosilicate 64.3
    tributyl phosphate 70.74
    diacetone alcohol 231.22
    N,N-dimethylaniline 122.81
    acrylonitrile 241.16
    aniline 136.22
    1,3-propanediol 174.28
    bromobenzene 144.89
    dibromomethane 247.37
    1,1,2,2-tetrachloroethane 550.64
    2-methyl-cyclohexyl acetate 114.07
    tetrabutyl urea 104.01
    diisobutyl methanol 34.99
    2-phenylethanol 128.34
    styrene 56.94
    dioctyl adipate 111.64
    dimethyl sulfate 448.94
    ethyl butyrate 114.49
    methyl lactate 179.86
    butyl lactate 129.99
    diethyl carbonate 91.01
    propanediol butyl ether 161.56
    triethyl orthoformate 83.1
    p-tert-butyltoluene 31.76
    methyl 4-tert-butylbenzoate 164.32
    morpholine 413.75
    tert-butylamine 63.01
    n-dodecanol 26.13
    dimethoxymethane 428.96
    ethylene carbonate 262.53
    cyrene 268.54
    2-ethoxyethyl acetate 225.91
    2-ethylhexyl acetate 103.82
    1,2,4-trichlorobenzene 239.7
    4-methylpyridine 336.53
    dibutyl ether 43.61
    2,6-dimethyl-4-heptanol 34.99
    DEF 354.94
    dimethyl isosorbide 298.35
    tetrachloroethylene 324.87
    eugenol 185.91
    triacetin 205.81
    span 80 154.61
    1,4-butanediol 100.34
    1,1-dichloroethane 241.04
    2-methyl-1-pentanol 86.67
    methyl formate 384.47
    2-methyl-1-butanol 82.34
    n-decane 3.22
    butyronitrile 131.39
    3,7-dimethyl-1-octanol 44.15
    1-chlorooctane 22.18
    1-chlorotetradecane 11.96
    n-nonane 2.58
    undecane 2.76
    tert-butylcyclohexane 5.39
    cyclooctane 2.24
    cyclopentanol 154.35
    tetrahydropyran 205.14
    tert-amyl methyl ether 77.93
    2,5,8-trioxanonane 301.09
    1-hexene 20.33
    2-isopropoxyethanol 165.02
    2,2,2-trifluoroethanol 222.14
    methyl butyrate 208.32

    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