Tridecane

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  • Identifiers

    CAS number
    629-50-5

    Molecular formula
    C13H28

    SMILES
    CCCCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1300.0
    • Carbowax: 1300.0

  • Odor profile

    Waxy 66.81%
    Sweet 40.51%
    Gassy 34.84%
    Oily 26.05%
    Fatty 21.9%
    Fishy 17.57%
    Clean 16.48%
    Odorless 15.69%
    Meaty 14.65%
    Fresh 14.13%

    Scent© AI

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    8.96 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 22.1 °F (NTP, 1992)
    • -5.35 °C
    • -5.5 °C

    Boiling point

    • 455.7 °F at 760 mmHg (NTP, 1992)
    • 235.4 °C
    • 235.00 to 236.00 °C. @ 760.00 mm Hg

    Flash point est.
    95.83 ˚C

    Flash point expt.

    • 175 °F (USCG, 1999)
    • 94 °C (201 °F) - closed cup

    Solubility expt.

    • In water, 0.0047 mg/L
    • Very soluble in ethyl alcohol, ethyl ether; soluble in carbon tetrachloride
    • 4.7e-06 mg/mL at 25 °C

  • Synonyms

    • Tridecane
    • N-TRIDECANE
    • 629-50-5
    • Tridekan
    • HSDB 5727
    • TRIDECANE, N-
    • EINECS 211-093-4
    • UNII-A3LZF0L939
    • NSC 66205
    • DTXSID6027266
    • CHEBI:35998
    • MFCD00008979
    • NSC-66205
    • N-TRIDECANE [HSDB]
    • A3LZF0L939
    • DTXCID307266
    • EC 211-093-4
    • CH3-[CH2]11-CH3
    • Dodecane, methyl-
    • TRD
    • Tridecane, analytical standard
    • CH3-(CH2)11-CH3
    • tridecan
    • nTridecane
    • Tridecane (Standard)
    • Tridecane, >=99%
    • Tridecane, 99.0%
    • TRIDECANE [INCI]
    • Tridecane_GurudeebanSatyavani
    • CHEMBL135694
    • Tridecane-multiple sizes available
    • HY-W088037R
    • NSC66205
    • Tox21_303043
    • LMFA11000001
    • STL301147
    • AKOS016011009
    • HY-W088037
    • NCGC00257175-01
    • CAS-629-50-5
    • LS-14257
    • DB-054344
    • CS-0128437
    • NS00010717
    • T0411
    • Q150788
    • 757DB156-6441-49B0-A824-1532074AC0F6
    • 211-093-4

  • Applications

    Tridecane (CAS 629-50-5) is a nonpolar, high-boiling linear C13 alkane used as a solvent/diluent for organic synthesis, extraction of highly hydrophobic analytes, and in coatings, inks, and adhesives; as an internal standard and reference in gas chromatography (GC) and retention index calibration; as a nonpolar carrier/oil phase in emulsions, surfactant studies, and nanoparticle dispersions; as a model compound for combustion, evaporation, and mass-transfer research and for environmental fate/biodegradation assessments of hydrocarbons; and as a component of specialty hydrocarbon blends for cleaning/degreasing, process fluids, and for testing materials compatibility, permeation, and sealing performance against hydrocarbons.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.07
    methanol 111.4
    isopropanol 559.74
    water 0.0
    ethyl acetate 2663.42
    n-propanol 570.14
    acetone 1613.58
    n-butanol 929.16
    acetonitrile 441.15
    DMF 839.13
    toluene 2415.96
    isobutanol 656.27
    1,4-dioxane 3253.66
    methyl acetate 1171.83
    THF 8078.32
    2-butanone 2119.05
    n-pentanol 702.5
    sec-butanol 918.66
    n-hexane 5171.73
    ethylene glycol 12.57
    NMP 1632.1
    cyclohexane 9751.15
    DMSO 1126.2
    n-butyl acetate 7454.1
    n-octanol 918.84
    chloroform 4132.85
    n-propyl acetate 2535.96
    acetic acid 222.28
    dichloromethane 3985.41
    cyclohexanone 5326.59
    propylene glycol 50.64
    isopropyl acetate 2612.73
    DMAc 1028.49
    2-ethoxyethanol 535.46
    isopentanol 1305.31
    n-heptane 10558.53
    ethyl formate 622.32
    1,2-dichloroethane 3669.72
    n-hexanol 2007.66
    2-methoxyethanol 535.63
    isobutyl acetate 2065.56
    tetrachloromethane 1543.8
    n-pentyl acetate 2740.9
    transcutol 3410.12
    n-heptanol 941.38
    ethylbenzene 1536.79
    MIBK 2468.87
    2-propoxyethanol 1510.22
    tert-butanol 1523.82
    MTBE 4521.18
    2-butoxyethanol 1022.82
    propionic acid 377.47
    o-xylene 1540.7
    formic acid 10.07
    diethyl ether 5053.57
    m-xylene 1560.8
    p-xylene 1884.29
    chlorobenzene 1923.0
    dimethyl carbonate 302.2
    n-octane 2071.18
    formamide 25.11
    cyclopentanone 4261.58
    2-pentanone 2999.08
    anisole 1604.2
    cyclopentyl methyl ether 5983.61
    gamma-butyrolactone 2634.87
    1-methoxy-2-propanol 779.63
    pyridine 2877.66
    3-pentanone 2476.38
    furfural 1396.71
    n-dodecane 650.19
    diethylene glycol 291.4
    diisopropyl ether 3186.28
    tert-amyl alcohol 1625.93
    acetylacetone 2179.82
    n-hexadecane 813.1
    acetophenone 1258.97
    methyl propionate 1317.14
    isopentyl acetate 6164.19
    trichloroethylene 4352.43
    n-nonanol 971.53
    cyclohexanol 2158.64
    benzyl alcohol 549.59
    2-ethylhexanol 3339.93
    isooctanol 1133.48
    dipropyl ether 14079.33
    1,2-dichlorobenzene 1839.32
    ethyl lactate 438.88
    propylene carbonate 1665.82
    n-methylformamide 188.87
    2-pentanol 1276.96
    n-pentane 2884.74
    1-propoxy-2-propanol 2760.66
    1-methoxy-2-propyl acetate 2957.97
    2-(2-methoxypropoxy) propanol 950.1
    mesitylene 1389.4
    ε-caprolactone 3380.52
    p-cymene 2164.46
    epichlorohydrin 3285.2
    1,1,1-trichloroethane 5073.49
    2-aminoethanol 58.06
    morpholine-4-carbaldehyde 1406.14
    sulfolane 3161.5
    2,2,4-trimethylpentane 1112.76
    2-methyltetrahydrofuran 7347.22
    n-hexyl acetate 2658.52
    isooctane 1083.29
    2-(2-butoxyethoxy)ethanol 1282.97
    sec-butyl acetate 2456.74
    tert-butyl acetate 3595.34
    decalin 2508.2
    glycerin 60.62
    diglyme 3134.52
    acrylic acid 188.17
    isopropyl myristate 1642.36
    n-butyric acid 1216.05
    acetyl acetate 1274.17
    di(2-ethylhexyl) phthalate 599.0
    ethyl propionate 2434.16
    nitromethane 469.76
    1,2-diethoxyethane 5816.41
    benzonitrile 1044.7
    trioctyl phosphate 621.0
    1-bromopropane 5557.09
    gamma-valerolactone 2853.04
    n-decanol 732.95
    triethyl phosphate 1724.17
    4-methyl-2-pentanol 1022.99
    propionitrile 958.1
    vinylene carbonate 918.57
    1,1,2-trichlorotrifluoroethane 1173.67
    DMS 982.6
    cumene 1118.16
    2-octanol 940.19
    2-hexanone 2975.45
    octyl acetate 1455.32
    limonene 4985.35
    1,2-dimethoxyethane 2858.81
    ethyl orthosilicate 2058.02
    tributyl phosphate 945.48
    diacetone alcohol 1701.0
    N,N-dimethylaniline 1247.58
    acrylonitrile 601.91
    aniline 1065.56
    1,3-propanediol 178.25
    bromobenzene 2842.92
    dibromomethane 4026.4
    1,1,2,2-tetrachloroethane 4648.81
    2-methyl-cyclohexyl acetate 3122.55
    tetrabutyl urea 1264.85
    diisobutyl methanol 3058.96
    2-phenylethanol 975.6
    styrene 1751.59
    dioctyl adipate 1578.38
    dimethyl sulfate 495.63
    ethyl butyrate 6576.04
    methyl lactate 254.68
    butyl lactate 991.15
    diethyl carbonate 2761.02
    propanediol butyl ether 466.62
    triethyl orthoformate 4649.74
    p-tert-butyltoluene 2225.34
    methyl 4-tert-butylbenzoate 1236.74
    morpholine 3353.8
    tert-butylamine 1860.35
    n-dodecanol 629.72
    dimethoxymethane 1125.49
    ethylene carbonate 1131.76
    cyrene 620.88
    2-ethoxyethyl acetate 1889.98
    2-ethylhexyl acetate 5982.82
    1,2,4-trichlorobenzene 1861.63
    4-methylpyridine 2686.96
    dibutyl ether 7365.93
    2,6-dimethyl-4-heptanol 3058.96
    DEF 2543.97
    dimethyl isosorbide 2246.02
    tetrachloroethylene 2624.4
    eugenol 740.57
    triacetin 1433.98
    span 80 1080.79
    1,4-butanediol 69.71
    1,1-dichloroethane 3544.16
    2-methyl-1-pentanol 994.73
    methyl formate 163.92
    2-methyl-1-butanol 1067.81
    n-decane 1489.16
    butyronitrile 1650.88
    3,7-dimethyl-1-octanol 1642.61
    1-chlorooctane 2659.03
    1-chlorotetradecane 959.51
    n-nonane 1827.4
    undecane 912.33
    tert-butylcyclohexane 1992.48
    cyclooctane 3575.04
    cyclopentanol 1604.53
    tetrahydropyran 8694.03
    tert-amyl methyl ether 3678.16
    2,5,8-trioxanonane 1687.19
    1-hexene 5741.11
    2-isopropoxyethanol 675.18
    2,2,2-trifluoroethanol 57.19
    methyl butyrate 3084.33

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.16%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.5%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.16%
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 0.09%
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 0.01%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.27%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.7%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.5%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.11%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.05%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.1%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.03%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.16%
Camphor (Cote d'Ivoire), 1b stem 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.1%
Camphor (Cote d'Ivoire), 1c bark 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.01%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.3%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.03%
Rose (India) 1 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.22%
Monizia edulis Monizia edulis Lowe [Melanoselinum edulis (Lowe) Drude], fam. Apiaceae 0.4%
Phalaenopsis schilleriana headspace Phalaenopsis schilleriana Rehb. f., fam. Orchidaceae 0.3%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.2%
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 7.5%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.3%
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 0.1%
Tagetes (Italy) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.12%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.1%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 5.8%
Aristolochia odoratissima Aristolochia odoratissima L., fam. Aristolochaceae 0.05%
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 1.3%
Melia dubia (India) Melia dubia Cav., fam. Meliaceae 0.01%
Tangerine (Vietnam) 8008-31-9 Citrus reticulata Blanco, cultivar Tangerine, fam. Rutaceae 0.02%
Lime (Mexican, West Indian, Key) (Vietnam) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.01%
Conobea scopariodes (Brazil) Conobea scoparioides (Cham. & Schtdl.) Benth., fam. Scophulariaceae 0.15%
Viola etrusca (Italy) 1b yellow flower headspace Viola etrusca Erben, fam. Violaceae 0.01%
Croton jimenezii (Costa Rica) Croton jimenezii Standl. et Valerio, fam. Euphorbiaceae 0.05%