Indole

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  • Identifiers

    CAS number
    120-72-9

    Molecular formula
    C8H7N

    SMILES
    C1=CC=C2C(=C1)C=CN2

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1293.6
    • Carbowax: 2424.71

  • Odor profile

    Floral 71.36%
    Animal 64.77%
    Pungent 45.5%
    Musty 44.17%
    Burnt 41.05%
    Cheesy 38.51%
    Sweet 35.53%
    Phenolic 34.25%
    Earthy 32.43%
    Fruity 30.64%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    117.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 52.5 °C
    • 52 °C
    • Heat of Formation= 1.5660X10+8 J/kmol; Heat of Fusion at the Melting Point= 9.0000X10+6 J/kmol

    Boiling point

    • 254 °C
    • 253 °C @ 762 mm Hg; 128-133 °C @ 28 mm Hg
    • 253.00 to 254.00 °C. @ 760.00 mm Hg

    Flash point est.
    114.54 ˚C

    Solubility expt.

    • 3560 mg/L (at 25 °C)
    • SOL IN HOT WATER, HOT ALC, ETHER, BENZENE
    • 1 G IN 2 ML OF 70% ALC
    • SOL IN TOLUENE
    • Soluble in fixed oils; insoluble in mineral oil and glycerol.
    • For more Solubility (Complete) data for INDOLE (6 total), please visit the HSDB record page.
    • 3.56 mg/mL
    • Soluble in fixed oils and propylene glycol; Insoluble in glycerol
    • Soluble (in ethanol)

  • Synonyms

    • indole
    • 1H-Indole
    • 120-72-9
    • 2,3-Benzopyrrole
    • Indol
    • 1-Benzazole
    • Ketole
    • 1-Azaindene
    • Benzopyrrole
    • 2,3-Benzopyrole
    • Indole (natural)
    • Caswell No. 498B
    • 1-Benzo(b)pyrrole
    • Indol [German]
    • FEMA No. 2593
    • CCRIS 4421
    • HSDB 599
    • EPA Pesticide Chemical Code 025000
    • 1H-Benzo[b]pyrrole
    • MFCD00005607
    • Benzo[b]pyrrole
    • AI3-01540
    • NSC 1964
    • EINECS 204-420-7
    • UNII-8724FJW4M5
    • INDOLUM
    • DTXSID0020737
    • CHEBI:16881
    • 8724FJW4M5
    • NSC-1964
    • CHEMBL15844
    • DTXCID40737
    • Indole 100 microg/mL in Acetonitrile
    • NCGC00167539-01
    • INDOLE (USP-RS)
    • INDOLE [USP-RS]
    • IND
    • CAS-120-72-9
    • benzazole
    • mono-indole
    • 1-H-indole
    • Indole, 7
    • Indole (8CI)
    • 1H-Indole (9CI)
    • INDOLUM [HPUS]
    • INDOLE [FHFI]
    • INDOLE [HSDB]
    • INDOLE [FCC]
    • INDOLE [MI]
    • Indole, >=99%
    • SCHEMBL698
    • bmse000097
    • Indole, analytical standard
    • Indole, >=99%, FG
    • WLN: T56 BMJ
    • BIDD:GT0304
    • SCHEMBL940818
    • INDOLE BENZO-PYRROLE
    • SCHEMBL1921769
    • SCHEMBL9559244
    • NSC1964
    • 185l
    • BCP27232
    • STR01201
    • Tox21_112536
    • Tox21_201677
    • Tox21_302937
    • BBL011739
    • BDBM50094702
    • s6358
    • STL163380
    • Indole, 3-Benzopyrrole, 1-benzazole
    • AKOS000119629
    • Tox21_112536_1
    • AT36838
    • CG-0501
    • CS-W001132
    • DB04532
    • HY-W001132
    • Indole, puriss., >=98.5% (GC)
    • NCGC00167539-02
    • NCGC00167539-03
    • NCGC00256348-01
    • NCGC00259226-01
    • BP-10563
    • DS-011308
    • I0021
    • NS00010849
    • EN300-18285
    • C00463
    • SBI-0653862.0001
    • Q319541
    • SR-01000944736
    • SR-01000944736-1
    • Z57833933
    • F2190-0647
    • InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9
    • 204-420-7
    • 82451-55-6

  • Applications

    Indole (CAS 120-72-9) is a nitrogen-containing heterocycle occurring in jasmine blossoms, animal waste and many organisms, emitting a foul barnyard odour at high concentrations yet a delicate floral note at trace levels; this dual scent makes it a key perfumery fixative for fine fragrances, soaps, cosmetics and tobacco flavourings; simultaneously the indole nucleus is a versatile chemical brick for synthesising indigo dyes, the amino acid tryptophan, vitamins, complex natural alkaloids such as vinblastine, reserpine and serotonin, and a multitude of modern pharmaceuticals (indomethacin, sumatriptan, ondansetron, sunitinib, etc.); in agriculture, indole and its derivatives (IAA, indole-3-butyric acid, indoxacarb) serve as plant growth regulators, selective insecticides, antifungal agents and signalling molecules that trigger crop defence pathways; in research laboratories it functions as an indispensable building block for organic synthesis, fluorescent and electroactive materials, biochemical sensors, conductive polymers, enzyme-mechanism probes, microbial diagnostic media for enteric bacteria and liquid-crystal precursors, demonstrating a breadth of applications that stretches from heavy industry to sophisticated biomedicine.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 491.84
    methanol 742.52
    isopropanol 276.23
    water 3.45
    ethyl acetate 113.83
    n-propanol 375.24
    acetone 201.69
    n-butanol 324.73
    acetonitrile 94.17
    DMF 280.69
    toluene 22.48
    isobutanol 252.98
    1,4-dioxane 150.6
    methyl acetate 84.08
    THF 591.38
    2-butanone 156.95
    n-pentanol 318.14
    sec-butanol 269.04
    n-hexane 37.64
    ethylene glycol 97.61
    NMP 129.02
    cyclohexane 10.59
    DMSO 250.83
    n-butyl acetate 50.02
    n-octanol 44.18
    chloroform 132.6
    n-propyl acetate 58.09
    acetic acid 195.13
    dichloromethane 124.52
    cyclohexanone 106.64
    propylene glycol 97.86
    isopropyl acetate 51.62
    DMAc 151.87
    2-ethoxyethanol 333.15
    isopentanol 216.34
    n-heptane 20.87
    ethyl formate 80.6
    1,2-dichloroethane 84.61
    n-hexanol 143.42
    2-methoxyethanol 431.59
    isobutyl acetate 42.91
    tetrachloromethane 25.53
    n-pentyl acetate 48.68
    transcutol 532.66
    n-heptanol 58.29
    ethylbenzene 15.32
    MIBK 86.95
    2-propoxyethanol 213.34
    tert-butanol 189.1
    MTBE 140.21
    2-butoxyethanol 111.18
    propionic acid 129.57
    o-xylene 14.98
    formic acid 146.54
    diethyl ether 291.28
    m-xylene 17.36
    p-xylene 17.85
    chlorobenzene 30.37
    dimethyl carbonate 43.29
    n-octane 7.86
    formamide 241.33
    cyclopentanone 195.51
    2-pentanone 161.38
    anisole 56.91
    cyclopentyl methyl ether 163.7
    gamma-butyrolactone 159.49
    1-methoxy-2-propanol 264.57
    pyridine 126.98
    3-pentanone 103.55
    furfural 120.95
    n-dodecane 4.83
    diethylene glycol 157.78
    diisopropyl ether 54.21
    tert-amyl alcohol 175.95
    acetylacetone 86.03
    n-hexadecane 5.05
    acetophenone 41.66
    methyl propionate 103.5
    isopentyl acetate 48.68
    trichloroethylene 116.27
    n-nonanol 43.12
    cyclohexanol 97.11
    benzyl alcohol 62.14
    2-ethylhexanol 62.31
    isooctanol 48.9
    dipropyl ether 115.28
    1,2-dichlorobenzene 25.93
    ethyl lactate 35.57
    propylene carbonate 61.99
    n-methylformamide 227.55
    2-pentanol 206.89
    n-pentane 36.33
    1-propoxy-2-propanol 120.42
    1-methoxy-2-propyl acetate 62.11
    2-(2-methoxypropoxy) propanol 94.29
    mesitylene 11.62
    ε-caprolactone 84.65
    p-cymene 13.27
    epichlorohydrin 212.34
    1,1,1-trichloroethane 46.32
    2-aminoethanol 224.26
    morpholine-4-carbaldehyde 138.72
    sulfolane 146.11
    2,2,4-trimethylpentane 12.2
    2-methyltetrahydrofuran 279.7
    n-hexyl acetate 57.69
    isooctane 9.87
    2-(2-butoxyethoxy)ethanol 151.76
    sec-butyl acetate 41.7
    tert-butyl acetate 56.89
    decalin 7.62
    glycerin 122.65
    diglyme 220.98
    acrylic acid 95.17
    isopropyl myristate 31.45
    n-butyric acid 181.3
    acetyl acetate 38.43
    di(2-ethylhexyl) phthalate 28.8
    ethyl propionate 52.25
    nitromethane 179.85
    1,2-diethoxyethane 175.43
    benzonitrile 36.88
    trioctyl phosphate 21.67
    1-bromopropane 88.93
    gamma-valerolactone 167.62
    n-decanol 33.45
    triethyl phosphate 25.13
    4-methyl-2-pentanol 93.25
    propionitrile 112.22
    vinylene carbonate 56.67
    1,1,2-trichlorotrifluoroethane 99.39
    DMS 40.77
    cumene 15.21
    2-octanol 36.51
    2-hexanone 99.9
    octyl acetate 36.12
    limonene 22.54
    1,2-dimethoxyethane 256.79
    ethyl orthosilicate 27.73
    tributyl phosphate 27.27
    diacetone alcohol 88.23
    N,N-dimethylaniline 41.11
    acrylonitrile 96.13
    aniline 65.11
    1,3-propanediol 260.77
    bromobenzene 22.08
    dibromomethane 84.33
    1,1,2,2-tetrachloroethane 85.49
    2-methyl-cyclohexyl acetate 38.59
    tetrabutyl urea 34.31
    diisobutyl methanol 36.99
    2-phenylethanol 49.58
    styrene 19.47
    dioctyl adipate 39.12
    dimethyl sulfate 49.35
    ethyl butyrate 44.61
    methyl lactate 57.61
    butyl lactate 42.02
    diethyl carbonate 28.77
    propanediol butyl ether 75.77
    triethyl orthoformate 36.59
    p-tert-butyltoluene 13.38
    methyl 4-tert-butylbenzoate 45.91
    morpholine 254.1
    tert-butylamine 127.93
    n-dodecanol 27.07
    dimethoxymethane 266.17
    ethylene carbonate 48.28
    cyrene 67.38
    2-ethoxyethyl acetate 77.39
    2-ethylhexyl acetate 36.8
    1,2,4-trichlorobenzene 29.93
    4-methylpyridine 79.05
    dibutyl ether 70.68
    2,6-dimethyl-4-heptanol 36.99
    DEF 141.36
    dimethyl isosorbide 121.87
    tetrachloroethylene 74.0
    eugenol 58.49
    triacetin 52.91
    span 80 68.34
    1,4-butanediol 136.82
    1,1-dichloroethane 70.18
    2-methyl-1-pentanol 208.92
    methyl formate 102.72
    2-methyl-1-butanol 230.82
    n-decane 7.96
    butyronitrile 134.58
    3,7-dimethyl-1-octanol 49.46
    1-chlorooctane 23.8
    1-chlorotetradecane 11.23
    n-nonane 7.8
    undecane 5.87
    tert-butylcyclohexane 10.16
    cyclooctane 5.3
    cyclopentanol 153.52
    tetrahydropyran 205.54
    tert-amyl methyl ether 110.19
    2,5,8-trioxanonane 161.41
    1-hexene 114.0
    2-isopropoxyethanol 191.49
    2,2,2-trifluoroethanol 49.7
    methyl butyrate 65.54

    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
Genet headspace 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 5.0%
Civet secretion (China) 68916-26-7 Viverra zibetha L., fam. Viverridae 0.02%
Coronilla emerus headspace Coronilla emerus L., fam. Leguminosae 17.5%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 19.3%
Easter Lily, Picked Flower Headspace A Lilium candidum L., fam. Liliaceae 0.6%
Easter Lily, Picked Flower Headspace B Lilium candidum L., fam. Liliaceae 0.1%
False acacia headspace (Black locust) Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 2.0%
Honeysuckle headspace Lonicera caprifoleum L., fam. Caprifoliaceae 3.3%
Jasmine absolute 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.25%
Jasmine (Indonesia) 8022-96-6 Jasminum officinale var. grandiflorum L. (Red Flower), fam. Oleaceae 3.78%
Jasmine sambac (China) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 1.5%
Jasmine sambac (Indonesia) Jasminum sambac (L.) Aiton, fam. Oleaceae 14.07%
Jasmine sambac (Malati) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.1%
Jasmine sambac (Sampaquita) concrete Jasminum sambac (L.) Aiton (Sampaquita), fam. Oleaceae 1.5%
Jasmine, Living Flower Headspace 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 11.0%
Jasmine, Picked Flower Headspace 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.0%
Lilac headspace Syringa vulgaris L., fam. Oleaceae 1.8%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 2.9%
Neroli bigarade (bitter orange flower) Spain 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.1%
Bitter orange leaf (Petitgrain) (Spain) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.05%
Pittosporum tobira flower headspace Pittosporum tobira Ait., fam. Pittosporaceae 1.0%
Lilac, Purple, Living Flower Headspace Syringa vulgaris L., fam. Oleaceae 2.8%
Lilac, Purple, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 1.5%
Seringat headspace Philadelphus coronarius L., fam. Oleaceae 10.0%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.6%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 2.87%
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.01%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 5.5%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.2%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.38%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 12.56%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 4.01%
Jasmine absolute (Algeria) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.55%
Jasmine absolute (Egypt) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.71%
Jasmine absolute (France) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.48%
Jasmine absolute (Italy) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.39%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 4.21%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 3.7%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.45%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.67%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.58%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.32%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.12%
Jasmine absolute (Egypt) 3 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.25%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.24%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.13%
Tagetes erecta (Portugal) Tagetes erecta L. (T. major Gaertn), fam. Asteraceae (Compositae) 2.85%
Lilac, White, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 1.3%