2-Methylindoline

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  • Identifiers

    CAS number
    6872-06-6

    Molecular formula
    C9H11N

    SMILES
    CC1CC2=CC=CC=C2N1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1196.0

  • Odor profile

    Roasted 51.91%
    Nutty 44.14%
    Burnt 42.25%
    Animal 41.2%
    Meaty 39.44%
    Fishy 34.45%
    Musty 32.45%
    Cheesy 30.88%
    Earthy 30.53%
    Popcorn 28.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    133.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point est.
    86.71 ˚C

  • Synonyms

    • 2-Methylindoline
    • 6872-06-6
    • 2-methyl-2,3-dihydro-1H-indole
    • 2,3-Dihydro-2-methylindole
    • 1H-Indole, 2,3-dihydro-2-methyl-
    • 2-Methyl-2,3-dihydroindole
    • Indoline, 2-methyl-
    • Dihydroindole, 2-methyl-
    • alpha-Methyldihydroindole
    • 2,3-DIHYDRO-2-METHYL-1H-INDOLE
    • 5GAL2SM4VV
    • PE-11
    • NSC 65598
    • EINECS 229-971-0
    • MFCD00005706
    • NSC-65598
    • .alpha.-Methyldihydroindole
    • BRN 0081505
    • DTXSID70884339
    • 2-methyl indoline
    • 5-20-06-00344 (Beilstein Handbook Reference)
    • 2-Methylindoline; Indapamide Related Compound C
    • MFCD19217263
    • 2-methyl-indoline
    • NSC65598
    • a-Methyldihydroindole
    • UNII-5GAL2SM4VV
    • 2-Methylindoline, 98%
    • NCIOpen2_000227
    • SCHEMBL33268
    • SCHEMBL12837999
    • 1H-Indole,3-dihydro-2-methyl-
    • DTXCID90835247
    • CHEBI:166548
    • STR07895
    • STL124108
    • AKOS000119057
    • AKOS016356737
    • CS-W013390
    • PS-3274
    • SB15111
    • SB15112
    • SB15113
    • AC-28908
    • SY014921
    • SY099486
    • DB-021388
    • M0871
    • NS00045719
    • EN300-19044
    • D71186
    • Q27262116
    • F2190-0414
    • Z104472410
    • InChI=1/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H
    • 229-971-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 291.8
    methanol 304.45
    isopropanol 190.17
    water 1.41
    ethyl acetate 414.99
    n-propanol 245.84
    acetone 610.21
    n-butanol 206.16
    acetonitrile 407.05
    DMF 522.5
    toluene 160.71
    isobutanol 165.28
    1,4-dioxane 822.43
    methyl acetate 399.56
    THF 963.02
    2-butanone 391.89
    n-pentanol 170.15
    sec-butanol 155.25
    n-hexane 44.64
    ethylene glycol 107.15
    NMP 451.54
    cyclohexane 45.18
    DMSO 661.68
    n-butyl acetate 274.96
    n-octanol 147.79
    chloroform 670.28
    n-propyl acetate 187.02
    acetic acid 257.1
    dichloromethane 629.72
    cyclohexanone 438.71
    propylene glycol 124.68
    isopropyl acetate 207.59
    DMAc 386.18
    2-ethoxyethanol 267.71
    isopentanol 162.45
    n-heptane 47.06
    ethyl formate 209.8
    1,2-dichloroethane 355.01
    n-hexanol 286.47
    2-methoxyethanol 399.42
    isobutyl acetate 141.55
    tetrachloromethane 115.57
    n-pentyl acetate 148.71
    transcutol 711.45
    n-heptanol 134.43
    ethylbenzene 63.91
    MIBK 188.12
    2-propoxyethanol 481.16
    tert-butanol 196.88
    MTBE 243.47
    2-butoxyethanol 213.27
    propionic acid 234.86
    o-xylene 79.76
    formic acid 83.2
    diethyl ether 366.2
    m-xylene 101.2
    p-xylene 78.98
    chlorobenzene 217.33
    dimethyl carbonate 186.64
    n-octane 25.22
    formamide 108.8
    cyclopentanone 679.46
    2-pentanone 344.4
    anisole 165.24
    cyclopentyl methyl ether 398.01
    gamma-butyrolactone 689.12
    1-methoxy-2-propanol 354.53
    pyridine 378.82
    3-pentanone 281.18
    furfural 395.12
    n-dodecane 25.46
    diethylene glycol 358.53
    diisopropyl ether 107.7
    tert-amyl alcohol 147.55
    acetylacetone 376.53
    n-hexadecane 28.42
    acetophenone 138.75
    methyl propionate 349.82
    isopentyl acetate 220.53
    trichloroethylene 544.98
    n-nonanol 124.44
    cyclohexanol 165.08
    benzyl alcohol 119.22
    2-ethylhexanol 152.2
    isooctanol 102.58
    dipropyl ether 221.26
    1,2-dichlorobenzene 167.66
    ethyl lactate 100.33
    propylene carbonate 294.09
    n-methylformamide 275.33
    2-pentanol 137.22
    n-pentane 40.62
    1-propoxy-2-propanol 293.97
    1-methoxy-2-propyl acetate 271.9
    2-(2-methoxypropoxy) propanol 192.81
    mesitylene 68.13
    ε-caprolactone 342.41
    p-cymene 59.25
    epichlorohydrin 591.39
    1,1,1-trichloroethane 307.15
    2-aminoethanol 153.36
    morpholine-4-carbaldehyde 502.35
    sulfolane 621.39
    2,2,4-trimethylpentane 23.33
    2-methyltetrahydrofuran 528.29
    n-hexyl acetate 239.48
    isooctane 23.89
    2-(2-butoxyethoxy)ethanol 280.41
    sec-butyl acetate 124.86
    tert-butyl acetate 197.78
    decalin 29.7
    glycerin 179.38
    diglyme 446.7
    acrylic acid 192.2
    isopropyl myristate 100.54
    n-butyric acid 273.66
    acetyl acetate 247.3
    di(2-ethylhexyl) phthalate 88.76
    ethyl propionate 168.59
    nitromethane 561.9
    1,2-diethoxyethane 302.81
    benzonitrile 170.09
    trioctyl phosphate 75.36
    1-bromopropane 244.27
    gamma-valerolactone 638.24
    n-decanol 100.44
    triethyl phosphate 79.08
    4-methyl-2-pentanol 98.41
    propionitrile 250.73
    vinylene carbonate 273.24
    1,1,2-trichlorotrifluoroethane 279.66
    DMS 200.81
    cumene 52.9
    2-octanol 91.09
    2-hexanone 212.79
    octyl acetate 129.74
    limonene 89.76
    1,2-dimethoxyethane 383.56
    ethyl orthosilicate 76.89
    tributyl phosphate 88.83
    diacetone alcohol 205.29
    N,N-dimethylaniline 104.31
    acrylonitrile 296.49
    aniline 176.3
    1,3-propanediol 187.1
    bromobenzene 229.86
    dibromomethane 410.76
    1,1,2,2-tetrachloroethane 386.27
    2-methyl-cyclohexyl acetate 133.5
    tetrabutyl urea 107.79
    diisobutyl methanol 84.91
    2-phenylethanol 166.11
    styrene 86.47
    dioctyl adipate 115.16
    dimethyl sulfate 232.44
    ethyl butyrate 166.07
    methyl lactate 158.42
    butyl lactate 113.63
    diethyl carbonate 105.4
    propanediol butyl ether 191.66
    triethyl orthoformate 114.58
    p-tert-butyltoluene 60.04
    methyl 4-tert-butylbenzoate 140.58
    morpholine 612.92
    tert-butylamine 125.85
    n-dodecanol 83.57
    dimethoxymethane 498.84
    ethylene carbonate 244.5
    cyrene 157.47
    2-ethoxyethyl acetate 229.63
    2-ethylhexyl acetate 174.43
    1,2,4-trichlorobenzene 185.24
    4-methylpyridine 313.16
    dibutyl ether 173.25
    2,6-dimethyl-4-heptanol 84.91
    DEF 304.24
    dimethyl isosorbide 277.29
    tetrachloroethylene 251.92
    eugenol 147.94
    triacetin 190.8
    span 80 174.87
    1,4-butanediol 105.17
    1,1-dichloroethane 369.59
    2-methyl-1-pentanol 135.91
    methyl formate 258.66
    2-methyl-1-butanol 151.67
    n-decane 37.86
    butyronitrile 229.98
    3,7-dimethyl-1-octanol 128.12
    1-chlorooctane 107.83
    1-chlorotetradecane 55.9
    n-nonane 38.28
    undecane 30.26
    tert-butylcyclohexane 30.87
    cyclooctane 24.02
    cyclopentanol 221.76
    tetrahydropyran 522.25
    tert-amyl methyl ether 161.55
    2,5,8-trioxanonane 308.91
    1-hexene 125.11
    2-isopropoxyethanol 201.95
    2,2,2-trifluoroethanol 109.5
    methyl butyrate 194.03

    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

Botanical

Name CAS Botanical Proportion
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 0.9%