Nonane

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  • Identifiers

    CAS number
    111-84-2

    Molecular formula
    C9H20

    SMILES
    CCCCCCCCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 900.0

  • Odor profile

    Sweet 64.37%
    Gassy 51.11%
    Ethereal 32.68%
    Waxy 31.41%
    Citrus 19.77%
    Oily 19.07%
    Musty 18.58%
    Fresh 18.56%
    Fishy 17.26%
    Clean 16.08%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 1.0 [mmHg]. Odor Threshold High: 21.0 [mmHg]. Odor threshold from AIHA
    • 6.50X10+2 ppm (odor detection, purity, and medium not specified)

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.54 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -60 °F (NTP, 1992)
    • -53.47 °C
    • -51 °C
    • -60 °F

    Boiling point

    • 303.4 °F at 760 mmHg (NTP, 1992)
    • 150.47 °C
    • 149.00 to 152.00 °C. @ 760.00 mm Hg
    • 150.8 °C
    • 303 °F

    Flash point est.
    33.81 ˚C

    Flash point expt.

    • 88 °F (NTP, 1992)
    • 31 °C
    • 88 °F (31 °C) (Closed Cup)
    • 31 °C c.c.
    • 88 °F

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • In water, 0.220 mg/L at 25 °C
    • Very soluble in ethanol and ether; miscible with acetone, benzene, chloroform, hydrogen peroxide
    • 0.00022 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.00002 (very poor)
    • Insoluble

  • Synonyms

    • NONANE
    • n-Nonane
    • 111-84-2
    • Nonyl hydride
    • Shellsol 140
    • nonan
    • Iotrochotin
    • CCRIS 6081
    • HSDB 107
    • Lodyne S
    • EINECS 203-913-4
    • UNII-T9W3VH6G10
    • NSC 72430
    • T9W3VH6G10
    • DTXSID9025796
    • CHEBI:32892
    • Lodyne S 100
    • NSC-72430
    • 66039-00-7
    • NONANE-5-C12
    • DTXCID005796
    • EC 203-913-4
    • MFCD00009574
    • Heptane, ethyl-
    • Nonane, analytical standard
    • 144637-82-1
    • CH3-(CH2)7-CH3
    • CH3-[CH2]7-CH3
    • CAS-111-84-2
    • Nonanes
    • Nonane; NSC 72430; Nonane-5-C12; Shellsol 140; n-Nonane
    • n-C9H20
    • DD9
    • n-Nonane 10 microg/mL in Cyclohexane
    • n-Nonane 1000 microg/mL in Methanol
    • Nonane, 99%
    • NONANE [HSDB]
    • NONANE MFC9 H20
    • Nonane, anhydrous, >=99%
    • CHEMBL335900
    • Nonane, ReagentPlus(R), 99%
    • NSC72430
    • Tox21_201479
    • Tox21_303148
    • LMFA11000579
    • AKOS015904046
    • HY-W539866
    • UN 1920
    • NCGC00091787-01
    • NCGC00091787-02
    • NCGC00257029-01
    • NCGC00259030-01
    • LS-13716
    • DB-041010
    • DB-063623
    • N0286
    • NS00007716
    • S0281
    • G77327
    • A802420
    • Q150694
    • C8F3CAB9-DAF5-4085-84EB-07C0AB04D3A1
    • InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H
    • 203-913-4
    • 61193-19-9

  • Applications

    Nonane (CAS 111-84-2) is a straight-chain C9 alkane used primarily as a nonpolar solvent and diluent in organic synthesis, extraction of oils, waxes and other hydrophobic compounds, in industrial solvent systems, degreasing/cleaning formulations, and selected paint, ink and adhesive recipes where specific evaporation and solvency are required; it is widely employed as an n-alkane reference standard in gas chromatography for retention index (Kovats/RI) assignment and column performance checks, as a reference fluid for thermophysical measurements (boiling point, density, surface tension, vapor-liquid equilibrium) and for evaluating distillation equipment, and as a model hydrocarbon in combustion, oxidation-mechanism and fuel-surrogate research for engines, as well as an inert, higher-boiling medium for catalytic processes, polymerization slurries, or other operations requiring a stable, low-reactivity hydrocarbon environment.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1242.35
    methanol 541.06
    isopropanol 1816.92
    water 0.01
    ethyl acetate 4005.9
    n-propanol 1827.21
    acetone 3472.12
    n-butanol 2654.46
    acetonitrile 1382.35
    DMF 1632.86
    toluene 3199.05
    isobutanol 1770.29
    1,4-dioxane 5458.98
    methyl acetate 2144.12
    THF 12552.6
    2-butanone 3693.37
    n-pentanol 1777.96
    sec-butanol 2525.27
    n-hexane 10233.07
    ethylene glycol 59.66
    NMP 2257.42
    cyclohexane 12648.89
    DMSO 2141.19
    n-butyl acetate 11857.36
    n-octanol 1729.83
    chloroform 6879.72
    n-propyl acetate 3566.04
    acetic acid 662.61
    dichloromethane 6232.81
    cyclohexanone 7309.24
    propylene glycol 186.05
    isopropyl acetate 3254.26
    DMAc 1265.32
    2-ethoxyethanol 1094.28
    isopentanol 2842.78
    n-heptane 17342.36
    ethyl formate 1294.66
    1,2-dichloroethane 5220.11
    n-hexanol 5568.88
    2-methoxyethanol 1398.14
    isobutyl acetate 2340.82
    tetrachloromethane 2490.7
    n-pentyl acetate 3400.22
    transcutol 4776.83
    n-heptanol 1859.12
    ethylbenzene 1951.82
    MIBK 3115.25
    2-propoxyethanol 3473.53
    tert-butanol 3763.11
    MTBE 7137.85
    2-butoxyethanol 1772.71
    propionic acid 953.47
    o-xylene 1698.44
    formic acid 37.47
    diethyl ether 8854.28
    m-xylene 1893.02
    p-xylene 2344.73
    chlorobenzene 2800.3
    dimethyl carbonate 426.83
    n-octane 3259.97
    formamide 77.71
    cyclopentanone 6246.3
    2-pentanone 4820.09
    anisole 1926.08
    cyclopentyl methyl ether 7952.77
    gamma-butyrolactone 4169.88
    1-methoxy-2-propanol 1638.2
    pyridine 4428.95
    3-pentanone 3347.87
    furfural 2121.26
    n-dodecane 1054.84
    diethylene glycol 709.48
    diisopropyl ether 3997.39
    tert-amyl alcohol 3540.04
    acetylacetone 2694.57
    n-hexadecane 1289.39
    acetophenone 1308.47
    methyl propionate 1969.8
    isopentyl acetate 8210.63
    trichloroethylene 5890.45
    n-nonanol 1655.05
    cyclohexanol 3956.24
    benzyl alcohol 851.94
    2-ethylhexanol 6820.95
    isooctanol 1843.61
    dipropyl ether 19781.73
    1,2-dichlorobenzene 2234.42
    ethyl lactate 604.92
    propylene carbonate 2514.35
    n-methylformamide 483.73
    2-pentanol 2967.1
    n-pentane 5915.22
    1-propoxy-2-propanol 5343.84
    1-methoxy-2-propyl acetate 3658.14
    2-(2-methoxypropoxy) propanol 1162.59
    mesitylene 1495.24
    ε-caprolactone 4722.92
    p-cymene 2685.64
    epichlorohydrin 4708.82
    1,1,1-trichloroethane 6969.87
    2-aminoethanol 232.68
    morpholine-4-carbaldehyde 1910.56
    sulfolane 4064.5
    2,2,4-trimethylpentane 1642.18
    2-methyltetrahydrofuran 11337.94
    n-hexyl acetate 3561.7
    isooctane 1658.53
    2-(2-butoxyethoxy)ethanol 1906.85
    sec-butyl acetate 2540.57
    tert-butyl acetate 3863.54
    decalin 3039.41
    glycerin 184.52
    diglyme 3824.51
    acrylic acid 493.68
    isopropyl myristate 1806.09
    n-butyric acid 2769.24
    acetyl acetate 1651.89
    di(2-ethylhexyl) phthalate 713.22
    ethyl propionate 2879.93
    nitromethane 1035.46
    1,2-diethoxyethane 7186.98
    benzonitrile 1758.78
    trioctyl phosphate 794.68
    1-bromopropane 9035.38
    gamma-valerolactone 4445.04
    n-decanol 1248.74
    triethyl phosphate 1734.14
    4-methyl-2-pentanol 1895.93
    propionitrile 2388.89
    vinylene carbonate 1486.16
    1,1,2-trichlorotrifluoroethane 1720.59
    DMS 1080.83
    cumene 1254.74
    2-octanol 1643.78
    2-hexanone 4471.59
    octyl acetate 1761.27
    limonene 6369.14
    1,2-dimethoxyethane 4433.17
    ethyl orthosilicate 2136.09
    tributyl phosphate 1139.1
    diacetone alcohol 2146.96
    N,N-dimethylaniline 1287.71
    acrylonitrile 1580.96
    aniline 1786.98
    1,3-propanediol 580.42
    bromobenzene 3720.77
    dibromomethane 6744.0
    1,1,2,2-tetrachloroethane 5720.43
    2-methyl-cyclohexyl acetate 3446.31
    tetrabutyl urea 1470.29
    diisobutyl methanol 4417.38
    2-phenylethanol 1631.57
    styrene 2321.46
    dioctyl adipate 1700.85
    dimethyl sulfate 566.71
    ethyl butyrate 8048.26
    methyl lactate 412.06
    butyl lactate 1437.39
    diethyl carbonate 3194.28
    propanediol butyl ether 835.84
    triethyl orthoformate 5180.97
    p-tert-butyltoluene 2670.16
    methyl 4-tert-butylbenzoate 1213.73
    morpholine 5930.24
    tert-butylamine 4406.81
    n-dodecanol 1063.87
    dimethoxymethane 1871.61
    ethylene carbonate 1757.67
    cyrene 703.5
    2-ethoxyethyl acetate 2165.2
    2-ethylhexyl acetate 7696.5
    1,2,4-trichlorobenzene 2146.67
    4-methylpyridine 4208.79
    dibutyl ether 9935.37
    2,6-dimethyl-4-heptanol 4417.38
    DEF 3542.06
    dimethyl isosorbide 2428.89
    tetrachloroethylene 3666.82
    eugenol 870.84
    triacetin 1426.89
    span 80 1577.95
    1,4-butanediol 199.84
    1,1-dichloroethane 5777.89
    2-methyl-1-pentanol 1945.71
    methyl formate 372.25
    2-methyl-1-butanol 2397.47
    n-decane 2396.84
    butyronitrile 4010.51
    3,7-dimethyl-1-octanol 2717.97
    1-chlorooctane 3869.63
    1-chlorotetradecane 1307.56
    n-nonane 3005.54
    undecane 1495.95
    tert-butylcyclohexane 2614.01
    cyclooctane 4554.06
    cyclopentanol 3217.29
    tetrahydropyran 13439.06
    tert-amyl methyl ether 5029.01
    2,5,8-trioxanonane 1947.43
    1-hexene 11898.96
    2-isopropoxyethanol 1170.41
    2,2,2-trifluoroethanol 127.4
    methyl butyrate 3952.05

    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
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.27%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Pittosporum tobira flower headspace Pittosporum tobira Ait., fam. Pittosporaceae 42.0%
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 3.4%
St. John's wort (Italy) 1b headspace 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 9.7%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 0.35%
Polygonum minus (Kesom) Polygonum minus Huds., fam. Polygonaceae 0.32%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.2%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.3%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.02%
Micromeria myrtifolia (Turkey) Micromeria myrtifolia Boiss. et Hohen, fam. Lamiaceae (Labiatae) 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 0.6%
Polygonum odoratum Polygonum odoratum L., fam. Polygonaceae 0.05%
Acacia praecox flower (Argentina) Acacia praecox Gris., fam. Mimosaceae (Leguminosae) 0.01%
St. John's wort (India) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 4.6%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.36%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.28%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Monizia edulis Monizia edulis Lowe [Melanoselinum edulis (Lowe) Drude], fam. Apiaceae 0.05%
Phalaenopsis equestris headspace Phalaenopsis equestris Rehb. f., fam. Orchidaceae 3.1%
Phalaenopsis veichiana headspace Phalaenopsis veitchiana, fam. Orchidaceae 1.4%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Aegopodium podagraria Aegodopodium podagraria L., fam. Apiaceae (Umbelliferae) 0.05%
Cilantro (Coriander leaf) 6a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.1%
Mullilam seed (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 1.1%
Helichrysum litoreum (Italy) 1a flower Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.3%
Helichrysum litoreum (Italy) 1b stem Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.05%
Hypericum dogonbadanicum Hypericum dogonbadanicum Assadi, fam. Guttiferae (Hypericeae) 2.8%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.7%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 0.1%
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 1.4%
Ferula elaeochytris fruit Ferula elaeochytris Korovin, fam. Apiaceae (Umbelliferae) 27.1%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Salvia brachyodon (Yugoslavia) Salvia brachyodon Vandas, fam. Lamiaceae (Labiatae) 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Pinus oocarpa (Venezuela) Pinus oocarpa Schiede, fam. Pineaceae 7.3%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.03%
Hypericum perfoliatum (Greece) Hypericum perfoliatum L., fam. Guttiferae (Hyperiaceae) 5.9%