o-Iodotoluene

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  • Identifiers

    CAS number
    615-37-2

    Molecular formula
    C7H7I

    SMILES
    CC1=CC=CC=C1I

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 52.46%
    Floral 42.54%
    Animal 38.75%
    Woody 37.32%
    Leathery 37.31%
    Medicinal 35.19%
    Sweet 34.29%
    Musty 34.05%
    Smoky 33.47%
    Earthy 30.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    4.69 (weak acid)

    Molecular weight
    218.03 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point est.
    82.0 ˚C

  • Synonyms

    • 2-Iodotoluene
    • 1-Iodo-2-methylbenzene
    • 615-37-2
    • O-IODOTOLUENE
    • o-Tolyl iodide
    • Benzene, 1-iodo-2-methyl-
    • Toluene, o-iodo-
    • o-Methyliodobenzene
    • 2-methyliodobenzene
    • ortho-iodotoluene
    • 2-methylphenyl iodide
    • Iodotoluene
    • 2-iodo-toluene
    • MFCD00001042
    • 8OK4H85T07
    • 2-TOLYL IODIDE
    • NSC 3774
    • NSC-3774
    • EINECS 210-422-9
    • O-METHYLPHENYL IODIDE
    • 2-METHYL-1-IODOBENZENE
    • DTXSID0060646
    • CHEBI:39813
    • 1-iodo-2-methyl-benzene
    • oIodotoluene
    • oTolyl iodide
    • UNII-8OK4H85T07
    • Toluene, oiodo
    • oMethyliodobenzene
    • 2-iodo toluene
    • 1Iodo2methylbenzene
    • iodo-2-methylbenzene
    • Benzene, 1iodo2methyl
    • ORTHO IODOTOLUENE
    • 2-Iodotoluene, 98%
    • Toluene, oiodo (8CI)
    • Toluene, o-iodo-(8CI)
    • CBiol_000851
    • SCHEMBL98357
    • DTXCID5043055
    • NSC3774
    • CK2327
    • ICCB4_000147
    • STL280543
    • AKOS009157228
    • CS-W007394
    • DS-16936
    • DB-014127
    • I0217
    • NS00034717
    • EN300-139667
    • Q27120378
    • 210-422-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.61
    methanol 57.34
    isopropanol 62.55
    water 0.43
    ethyl acetate 175.95
    n-propanol 83.31
    acetone 203.78
    n-butanol 84.51
    acetonitrile 101.19
    DMF 237.76
    toluene 140.32
    isobutanol 59.83
    1,4-dioxane 506.32
    methyl acetate 174.43
    THF 535.87
    2-butanone 194.93
    n-pentanol 87.3
    sec-butanol 72.89
    n-hexane 24.35
    ethylene glycol 21.24
    NMP 333.43
    cyclohexane 37.13
    DMSO 212.0
    n-butyl acetate 203.17
    n-octanol 56.19
    chloroform 411.92
    n-propyl acetate 164.64
    acetic acid 91.15
    dichloromethane 348.67
    cyclohexanone 293.83
    propylene glycol 24.84
    isopropyl acetate 138.7
    DMAc 258.15
    2-ethoxyethanol 189.39
    isopentanol 75.2
    n-heptane 43.56
    ethyl formate 111.03
    1,2-dichloroethane 227.26
    n-hexanol 107.57
    2-methoxyethanol 194.72
    isobutyl acetate 123.29
    tetrachloromethane 99.89
    n-pentyl acetate 144.27
    transcutol 553.78
    n-heptanol 67.11
    ethylbenzene 87.95
    MIBK 139.21
    2-propoxyethanol 229.31
    tert-butanol 92.11
    MTBE 147.78
    2-butoxyethanol 146.8
    propionic acid 71.38
    o-xylene 105.25
    formic acid 30.17
    diethyl ether 192.29
    m-xylene 104.65
    p-xylene 102.41
    chlorobenzene 178.69
    dimethyl carbonate 88.4
    n-octane 19.4
    formamide 70.72
    cyclopentanone 340.71
    2-pentanone 179.1
    anisole 251.09
    cyclopentyl methyl ether 249.77
    gamma-butyrolactone 316.87
    1-methoxy-2-propanol 160.5
    pyridine 269.6
    3-pentanone 158.43
    furfural 371.57
    n-dodecane 14.72
    diethylene glycol 138.41
    diisopropyl ether 91.27
    tert-amyl alcohol 91.75
    acetylacetone 256.4
    n-hexadecane 17.11
    acetophenone 204.97
    methyl propionate 135.23
    isopentyl acetate 176.18
    trichloroethylene 438.3
    n-nonanol 62.0
    cyclohexanol 96.83
    benzyl alcohol 127.58
    2-ethylhexanol 95.6
    isooctanol 61.2
    dipropyl ether 182.29
    1,2-dichlorobenzene 186.67
    ethyl lactate 71.98
    propylene carbonate 178.36
    n-methylformamide 103.29
    2-pentanol 69.82
    n-pentane 25.1
    1-propoxy-2-propanol 187.83
    1-methoxy-2-propyl acetate 246.53
    2-(2-methoxypropoxy) propanol 198.77
    mesitylene 80.38
    ε-caprolactone 267.34
    p-cymene 87.94
    epichlorohydrin 424.2
    1,1,1-trichloroethane 264.48
    2-aminoethanol 45.34
    morpholine-4-carbaldehyde 460.63
    sulfolane 368.44
    2,2,4-trimethylpentane 18.74
    2-methyltetrahydrofuran 358.4
    n-hexyl acetate 153.57
    isooctane 18.45
    2-(2-butoxyethoxy)ethanol 233.93
    sec-butyl acetate 134.32
    tert-butyl acetate 192.32
    decalin 33.09
    glycerin 42.13
    diglyme 494.8
    acrylic acid 69.87
    isopropyl myristate 101.31
    n-butyric acid 104.61
    acetyl acetate 153.36
    di(2-ethylhexyl) phthalate 85.92
    ethyl propionate 138.66
    nitromethane 221.51
    1,2-diethoxyethane 324.75
    benzonitrile 143.95
    trioctyl phosphate 59.15
    1-bromopropane 141.53
    gamma-valerolactone 538.85
    n-decanol 52.32
    triethyl phosphate 112.81
    4-methyl-2-pentanol 55.02
    propionitrile 91.99
    vinylene carbonate 188.76
    1,1,2-trichlorotrifluoroethane 257.21
    DMS 162.9
    cumene 69.64
    2-octanol 50.12
    2-hexanone 173.97
    octyl acetate 109.94
    limonene 120.06
    1,2-dimethoxyethane 367.87
    ethyl orthosilicate 117.26
    tributyl phosphate 75.86
    diacetone alcohol 170.75
    N,N-dimethylaniline 160.14
    acrylonitrile 102.41
    aniline 132.47
    1,3-propanediol 72.88
    bromobenzene 205.25
    dibromomethane 230.54
    1,1,2,2-tetrachloroethane 318.7
    2-methyl-cyclohexyl acetate 169.68
    tetrabutyl urea 102.91
    diisobutyl methanol 79.67
    2-phenylethanol 156.66
    styrene 107.77
    dioctyl adipate 135.43
    dimethyl sulfate 146.92
    ethyl butyrate 182.66
    methyl lactate 69.78
    butyl lactate 93.38
    diethyl carbonate 125.08
    propanediol butyl ether 92.23
    triethyl orthoformate 161.5
    p-tert-butyltoluene 92.85
    methyl 4-tert-butylbenzoate 179.06
    morpholine 408.17
    tert-butylamine 64.32
    n-dodecanol 46.13
    dimethoxymethane 243.05
    ethylene carbonate 157.44
    cyrene 216.4
    2-ethoxyethyl acetate 243.12
    2-ethylhexyl acetate 169.95
    1,2,4-trichlorobenzene 244.34
    4-methylpyridine 242.8
    dibutyl ether 125.03
    2,6-dimethyl-4-heptanol 79.67
    DEF 196.24
    dimethyl isosorbide 423.29
    tetrachloroethylene 221.77
    eugenol 186.79
    triacetin 188.61
    span 80 157.3
    1,4-butanediol 40.84
    1,1-dichloroethane 202.9
    2-methyl-1-pentanol 83.49
    methyl formate 95.07
    2-methyl-1-butanol 70.43
    n-decane 22.17
    butyronitrile 100.87
    3,7-dimethyl-1-octanol 75.54
    1-chlorooctane 65.25
    1-chlorotetradecane 37.91
    n-nonane 20.72
    undecane 17.33
    tert-butylcyclohexane 33.14
    cyclooctane 23.81
    cyclopentanol 107.48
    tetrahydropyran 315.57
    tert-amyl methyl ether 141.48
    2,5,8-trioxanonane 383.96
    1-hexene 61.65
    2-isopropoxyethanol 158.78
    2,2,2-trifluoroethanol 54.97
    methyl butyrate 163.35

    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