Undecane

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  • Identifiers

    CAS number
    1120-21-4

    Molecular formula
    C11H24

    SMILES
    CCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1100.0
    • Carbowax: 1100.0

  • Odor profile

    Sweet 52.33%
    Waxy 51.27%
    Gassy 43.65%
    Oily 22.91%
    Ethereal 20.63%
    Citrus 17.6%
    Fishy 17.49%
    Clean 16.95%
    Fatty 16.95%
    Fresh 16.56%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    Molecular weight
    156.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -14.1 °F (NTP, 1992)
    • -25.54 °C
    • -26.00 °C. @ 760.00 mm Hg

    Boiling point

    • 384.6 °F at 760 mmHg (NTP, 1992)
    • boiling point equals 385 °F
    • 195.9 °C
    • 195.00 to 198.00 °C. @ 760.00 mm Hg

    Flash point est.
    65.84 ˚C

    Flash point expt.

    • 149 °F (NFPA, 2010)
    • 300 °F
    • 62.0 °C (143.6 °F) - closed cup
    • 149 °F (65 °C) (open cup)

    Solubility expt.

    • In water, 0.014 mg/L at 25 deg (critical evaluation of all available data)
    • In water, 0.0044 mg/L at 25 °C
    • Miscible with ethyl alcohol, ether

  • Synonyms

    • Undecane
    • N-UNDECANE
    • 1120-21-4
    • Hendecane
    • n-Hendecane
    • CCRIS 3796
    • Hendekan
    • Undekan
    • HSDB 5791
    • UNII-JV0QT00NUE
    • JV0QT00NUE
    • EINECS 214-300-6
    • NSC 66159
    • BRN 1697099
    • DTXSID9021689
    • CHEBI:46342
    • AI3-21126
    • UNDECANE, N-
    • MFCD00008959
    • NSC-66159
    • DTXCID301689
    • EC 214-300-6
    • 4-01-00-00487 (Beilstein Handbook Reference)
    • Decane, methyl-
    • 61193-21-3
    • Undecane, >=99%
    • CH3-(CH2)9-CH3
    • CH3-[CH2]9-CH3
    • UND
    • HALPACLEAN
    • UN2330
    • undecan
    • Undecane, 99%
    • NIKKO ELACE
    • Undecane [UN2330] [Flammable liquid]
    • N-UNDECANE [HSDB]
    • UNII: JV0QT00NUE
    • Undecane, analytical standard
    • CHEMBL132474
    • QSPL 058
    • n-C11H24
    • HY-N8593
    • NSC66159
    • Tox21_300076
    • LMFA11000591
    • AKOS005145675
    • UN 2330
    • NCGC00247896-01
    • NCGC00254001-01
    • FU168486
    • LS-14030
    • CAS-1120-21-4
    • DB-041031
    • CS-0148678
    • NS00004614
    • U0002
    • Q150731
    • 17398EC4-D16F-42F6-8A27-60F8EC075469
    • InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H
    • 214-300-6

  • Applications

    Undecane (CAS 1120-21-4) is a straight-chain C11 alkane, colorless, volatile and faintly hydrocarbon-scented, with diverse laboratory and industrial uses: it serves as an internal and calibration standard in gas chromatography for retention-index determination of volatile compounds; acts as a non-polar solvent in organic synthesis, flavor–essential-oil extraction and polymer purification; functions as a low-volatility fuel component in combustion studies, bio-gasoline, biodiesel and aviation fuel formulation; is an intermediate for manufacturing anionic surfactants, high-performance lubricants and medical paraffin; provides a neutral odour carrier in perfumery, deodorants and scented candles, and is employed as a reference agent in high-sensitivity analytical instruments for evaluating coating durability, corrosion inhibitors and modelling hydrocarbon diffusion in environmental systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1013.13
    methanol 389.18
    isopropanol 1602.14
    water 0.0
    ethyl acetate 4819.65
    n-propanol 1556.0
    acetone 3877.55
    n-butanol 2346.18
    acetonitrile 1301.42
    DMF 1789.42
    toluene 3791.68
    isobutanol 1652.13
    1,4-dioxane 6033.09
    methyl acetate 2393.31
    THF 14229.03
    2-butanone 4121.14
    n-pentanol 1681.25
    sec-butanol 2280.67
    n-hexane 10753.97
    ethylene glycol 41.7
    NMP 2565.24
    cyclohexane 15977.73
    DMSO 2384.62
    n-butyl acetate 13820.51
    n-octanol 1766.77
    chloroform 7376.0
    n-propyl acetate 4371.27
    acetic acid 579.74
    dichloromethane 7043.74
    cyclohexanone 8777.03
    propylene glycol 145.24
    isopropyl acetate 4186.73
    DMAc 1591.54
    2-ethoxyethanol 1098.2
    isopentanol 2811.97
    n-heptane 19104.45
    ethyl formate 1334.21
    1,2-dichloroethane 6274.92
    n-hexanol 4913.53
    2-methoxyethanol 1309.95
    isobutyl acetate 3114.28
    tetrachloromethane 2723.44
    n-pentyl acetate 4184.7
    transcutol 5652.06
    n-heptanol 1846.93
    ethylbenzene 2361.28
    MIBK 3944.11
    2-propoxyethanol 3276.9
    tert-butanol 3647.56
    MTBE 8516.56
    2-butoxyethanol 1849.61
    propionic acid 876.17
    o-xylene 2159.71
    formic acid 28.09
    diethyl ether 10116.46
    m-xylene 2315.8
    p-xylene 2866.59
    chlorobenzene 3167.16
    dimethyl carbonate 521.09
    n-octane 3613.45
    formamide 65.79
    cyclopentanone 7262.89
    2-pentanone 5558.42
    anisole 2391.56
    cyclopentyl methyl ether 9603.56
    gamma-butyrolactone 4667.58
    1-methoxy-2-propanol 1659.19
    pyridine 5049.84
    3-pentanone 4153.19
    furfural 2312.33
    n-dodecane 1151.65
    diethylene glycol 647.47
    diisopropyl ether 5267.63
    tert-amyl alcohol 3519.92
    acetylacetone 3498.22
    n-hexadecane 1416.1
    acetophenone 1704.94
    methyl propionate 2376.09
    isopentyl acetate 10010.56
    trichloroethylene 7024.97
    n-nonanol 1765.79
    cyclohexanol 4122.77
    benzyl alcohol 930.77
    2-ethylhexanol 6801.01
    isooctanol 2010.65
    dipropyl ether 24054.23
    1,2-dichlorobenzene 2683.97
    ethyl lactate 702.12
    propylene carbonate 2831.35
    n-methylformamide 468.11
    2-pentanol 2894.15
    n-pentane 6035.38
    1-propoxy-2-propanol 5412.82
    1-methoxy-2-propyl acetate 4507.3
    2-(2-methoxypropoxy) propanol 1381.56
    mesitylene 1950.71
    ε-caprolactone 5494.67
    p-cymene 3144.47
    epichlorohydrin 5534.98
    1,1,1-trichloroethane 8488.2
    2-aminoethanol 175.63
    morpholine-4-carbaldehyde 2258.43
    sulfolane 4936.22
    2,2,4-trimethylpentane 1865.45
    2-methyltetrahydrofuran 12785.99
    n-hexyl acetate 4258.65
    isooctane 1899.0
    2-(2-butoxyethoxy)ethanol 2114.29
    sec-butyl acetate 3541.07
    tert-butyl acetate 5356.54
    decalin 3767.49
    glycerin 151.7
    diglyme 4687.59
    acrylic acid 437.16
    isopropyl myristate 2313.78
    n-butyric acid 2686.17
    acetyl acetate 2066.06
    di(2-ethylhexyl) phthalate 832.2
    ethyl propionate 3752.09
    nitromethane 1063.61
    1,2-diethoxyethane 9128.86
    benzonitrile 1888.96
    trioctyl phosphate 919.78
    1-bromopropane 10042.79
    gamma-valerolactone 5035.68
    n-decanol 1305.8
    triethyl phosphate 2276.11
    4-methyl-2-pentanol 2043.7
    propionitrile 2311.86
    vinylene carbonate 1610.65
    1,1,2-trichlorotrifluoroethane 1931.88
    DMS 1411.4
    cumene 1569.25
    2-octanol 1737.97
    2-hexanone 5323.67
    octyl acetate 2154.18
    limonene 7670.52
    1,2-dimethoxyethane 5239.38
    ethyl orthosilicate 2793.76
    tributyl phosphate 1381.97
    diacetone alcohol 2675.31
    N,N-dimethylaniline 1674.22
    acrylonitrile 1517.05
    aniline 1897.63
    1,3-propanediol 481.61
    bromobenzene 4384.67
    dibromomethane 7403.53
    1,1,2,2-tetrachloroethane 7095.0
    2-methyl-cyclohexyl acetate 4361.52
    tetrabutyl urea 1813.89
    diisobutyl methanol 5027.31
    2-phenylethanol 1699.06
    styrene 2761.46
    dioctyl adipate 2149.75
    dimethyl sulfate 744.16
    ethyl butyrate 10286.41
    methyl lactate 456.97
    butyl lactate 1611.91
    diethyl carbonate 4072.89
    propanediol butyl ether 846.2
    triethyl orthoformate 6755.67
    p-tert-butyltoluene 3174.33
    methyl 4-tert-butylbenzoate 1568.56
    morpholine 6492.6
    tert-butylamine 4426.5
    n-dodecanol 1108.99
    dimethoxymethane 2158.66
    ethylene carbonate 1967.72
    cyrene 833.78
    2-ethoxyethyl acetate 2775.41
    2-ethylhexyl acetate 9537.05
    1,2,4-trichlorobenzene 2611.04
    4-methylpyridine 4686.75
    dibutyl ether 12196.75
    2,6-dimethyl-4-heptanol 5027.31
    DEF 4327.71
    dimethyl isosorbide 2941.23
    tetrachloroethylene 4304.0
    eugenol 1019.41
    triacetin 1895.69
    span 80 1721.72
    1,4-butanediol 169.9
    1,1-dichloroethane 6614.59
    2-methyl-1-pentanol 1982.1
    methyl formate 381.33
    2-methyl-1-butanol 2317.87
    n-decane 2625.83
    butyronitrile 3885.86
    3,7-dimethyl-1-octanol 2918.95
    1-chlorooctane 4429.71
    1-chlorotetradecane 1522.61
    n-nonane 3297.83
    undecane 1620.25
    tert-butylcyclohexane 3172.99
    cyclooctane 5593.19
    cyclopentanol 3257.48
    tetrahydropyran 15409.44
    tert-amyl methyl ether 6123.95
    2,5,8-trioxanonane 2394.06
    1-hexene 12325.36
    2-isopropoxyethanol 1275.06
    2,2,2-trifluoroethanol 125.86
    methyl butyrate 4978.62

    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
Balsamite/Costmary Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.12%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.1%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Pittosporum tobira flower headspace Pittosporum tobira Ait., fam. Pittosporaceae 7.5%
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 3.2%
St. John's wort (Italy) 1b headspace 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.7%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Polygonum minus (Kesom) Polygonum minus Huds., fam. Polygonaceae 0.82%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.11%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Micromeria myrtifolia (Turkey) Micromeria myrtifolia Boiss. et Hohen, fam. Lamiaceae (Labiatae) 0.01%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.06%
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.02%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.14%
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 3.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 1.0%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 6.75%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.01%
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 1.5%
Polygonum odoratum Polygonum odoratum L., fam. Polygonaceae 1.3%
Ageratum houstonianum (India) Ageratum houstonianum Mill., fam. Asteraceae (Compositae) 0.1%
Acacia praecox flower (Argentina) Acacia praecox Gris., fam. Mimosaceae (Leguminosae) 13.3%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.02%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 0.1%
Vitex agnus-castus leaf (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.2%
St. John's wort (India) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 0.05%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.04%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.06%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.04%
Phalaenopsis schilleriana headspace Phalaenopsis schilleriana Rehb. f., fam. Orchidaceae 0.7%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
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 0.02%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.1%
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.09%
Chervil (Turkey) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 1.75%
Dill herb (Reunion Island) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Datura flower headspace (Japan) Datura candida (Pers.), fam. Solanaceae 0.49%
Persicaria odorata Persicarica odorata (Lour.) Sojak (Polygonum odoratum (Lour.) Polygonaceae 1.1%
Cupressus macrocarpa leaf (Argentina) Cupressus macrocarpa Hartw., fam. Cupressaceae 1.1%
Zataria multiflora (Iran) 3 Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 3.8%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 3.9%
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 3.9%
Hypericum olympicum (Yugoslavia) Hypericum olympicum L., fam. Guttiferae (Hyperiaceae) 0.3%