1-Tridecene

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  • Identifiers

    CAS number
    2437-56-1

    Molecular formula
    C13H26

    SMILES
    CCCCCCCCCCCC=C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1292.0

  • Odor profile

    Waxy 54.59%
    Gassy 42.45%
    Sweet 42.44%
    Citrus 37.21%
    Fatty 30.72%
    Oily 27.45%
    Fresh 24.35%
    Meaty 22.21%
    Fishy 22.03%
    Clean 21.64%

    Scent© AI

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.8 (neutral)

    Molecular weight
    182.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -11 °F (USCG, 1999)
    • -13 °C

    Boiling point

    • 451 °F at 760 mmHg (USCG, 1999)
    • 232.8 °C @ 760 MM HG mm Hg

    Flash point est.
    94.11 ˚C

    Flash point expt.

    • 175 °F (approx.) (USCG, 1999)
    • 79 °C
    • Approx 175 °F

    Solubility expt.

    • Insol in water; sol in benzene; very sol in ethanol and in ether
    • In water, 3.67X10-2 mg/L @ 25 °C /Estimated/

  • Synonyms

    • 1-TRIDECENE
    • 2437-56-1
    • tridec-1-ene
    • N-Tridec-1-ene
    • Tridecylene
    • Undecylethylene
    • alpha-Tridecene
    • CCRIS 5719
    • 1-Tridecene, 97%
    • HSDB 1088
    • 1-Tridecylene
    • Tridecene-1
    • EINECS 219-443-8
    • .alpha.-Tridecene
    • MFCD00008976
    • NSC 78473
    • UNII-5B0U2S314C
    • BRN 1744660
    • DTXSID3029235
    • 5B0U2S314C
    • NSC-78473
    • 1-TRIDECENE [HSDB]
    • 1-C13H26
    • DTXCID209235
    • CHEBI:89815
    • 4-01-00-00921 (Beilstein Handbook Reference)
    • alphaTridecene
    • NTridec1ene
    • 1-Tridecene, 96%
    • CHEMBL3186542
    • NSC78473
    • Tox21_202997
    • LMFA11000331
    • AKOS015903313
    • 1-Tridecene [Standard Material for GC]
    • NCGC00260542-01
    • BP-13303
    • LS-14252
    • SY049393
    • CAS-2437-56-1
    • DB-046427
    • CS-0186370
    • NS00027640
    • T0637
    • D92374
    • Q27162003

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1183.31
    methanol 401.11
    isopropanol 1777.98
    water 0.0
    ethyl acetate 4646.03
    n-propanol 1566.76
    acetone 3360.59
    n-butanol 2359.3
    acetonitrile 882.66
    DMF 1225.3
    toluene 3109.79
    isobutanol 1559.03
    1,4-dioxane 5072.14
    methyl acetate 1880.62
    THF 12203.38
    2-butanone 3989.06
    n-pentanol 1758.51
    sec-butanol 2369.02
    n-hexane 8767.39
    ethylene glycol 28.12
    NMP 1463.19
    cyclohexane 12585.87
    DMSO 2058.06
    n-butyl acetate 11701.13
    n-octanol 1458.28
    chloroform 4881.28
    n-propyl acetate 4026.08
    acetic acid 377.13
    dichloromethane 5378.89
    cyclohexanone 6580.62
    propylene glycol 114.35
    isopropyl acetate 4028.73
    DMAc 1295.88
    2-ethoxyethanol 1131.12
    isopentanol 2909.59
    n-heptane 13246.78
    ethyl formate 940.9
    1,2-dichloroethane 5049.53
    n-hexanol 4281.3
    2-methoxyethanol 1232.87
    isobutyl acetate 2828.94
    tetrachloromethane 1543.54
    n-pentyl acetate 3578.24
    transcutol 6665.68
    n-heptanol 1454.31
    ethylbenzene 1920.77
    MIBK 3910.4
    2-propoxyethanol 3005.24
    tert-butanol 3753.08
    MTBE 9329.27
    2-butoxyethanol 1534.39
    propionic acid 561.55
    o-xylene 1711.77
    formic acid 18.19
    diethyl ether 11445.37
    m-xylene 1986.33
    p-xylene 2071.8
    chlorobenzene 2008.37
    dimethyl carbonate 337.09
    n-octane 2331.16
    formamide 43.21
    cyclopentanone 4757.15
    2-pentanone 5565.55
    anisole 1934.22
    cyclopentyl methyl ether 8473.9
    gamma-butyrolactone 2663.27
    1-methoxy-2-propanol 1619.94
    pyridine 3811.52
    3-pentanone 3565.69
    furfural 1385.29
    n-dodecane 715.2
    diethylene glycol 538.71
    diisopropyl ether 5448.17
    tert-amyl alcohol 3524.07
    acetylacetone 2904.82
    n-hexadecane 877.38
    acetophenone 1301.84
    methyl propionate 2027.57
    isopentyl acetate 8561.11
    trichloroethylene 5071.0
    n-nonanol 1467.13
    cyclohexanol 3389.9
    benzyl alcohol 740.61
    2-ethylhexanol 5540.34
    isooctanol 1613.68
    dipropyl ether 20934.04
    1,2-dichlorobenzene 1669.12
    ethyl lactate 541.96
    propylene carbonate 1616.19
    n-methylformamide 306.84
    2-pentanol 3039.7
    n-pentane 5290.87
    1-propoxy-2-propanol 4863.08
    1-methoxy-2-propyl acetate 4258.56
    2-(2-methoxypropoxy) propanol 1227.34
    mesitylene 1585.07
    ε-caprolactone 4196.41
    p-cymene 2372.82
    epichlorohydrin 4420.42
    1,1,1-trichloroethane 5503.82
    2-aminoethanol 133.92
    morpholine-4-carbaldehyde 1631.68
    sulfolane 2862.3
    2,2,4-trimethylpentane 1494.59
    2-methyltetrahydrofuran 11537.34
    n-hexyl acetate 3794.37
    isooctane 1561.35
    2-(2-butoxyethoxy)ethanol 1905.33
    sec-butyl acetate 3408.97
    tert-butyl acetate 5202.82
    decalin 2699.21
    glycerin 117.45
    diglyme 4181.23
    acrylic acid 228.09
    isopropyl myristate 1756.53
    n-butyric acid 2110.74
    acetyl acetate 1519.41
    di(2-ethylhexyl) phthalate 615.71
    ethyl propionate 3268.46
    nitromethane 689.65
    1,2-diethoxyethane 10446.66
    benzonitrile 1209.66
    trioctyl phosphate 648.23
    1-bromopropane 8867.79
    gamma-valerolactone 3405.92
    n-decanol 1056.96
    triethyl phosphate 1533.62
    4-methyl-2-pentanol 2043.04
    propionitrile 1677.24
    vinylene carbonate 870.02
    1,1,2-trichlorotrifluoroethane 1293.65
    DMS 1066.84
    cumene 1245.18
    2-octanol 1312.79
    2-hexanone 4928.68
    octyl acetate 1649.8
    limonene 5877.27
    1,2-dimethoxyethane 4865.99
    ethyl orthosilicate 1964.3
    tributyl phosphate 936.45
    diacetone alcohol 2537.34
    N,N-dimethylaniline 1353.87
    acrylonitrile 913.03
    aniline 1433.21
    1,3-propanediol 411.67
    bromobenzene 2813.08
    dibromomethane 5524.85
    1,1,2,2-tetrachloroethane 5022.34
    2-methyl-cyclohexyl acetate 3290.89
    tetrabutyl urea 1221.26
    diisobutyl methanol 3952.4
    2-phenylethanol 1386.45
    styrene 2166.2
    dioctyl adipate 1583.39
    dimethyl sulfate 449.23
    ethyl butyrate 8534.84
    methyl lactate 324.92
    butyl lactate 1257.67
    diethyl carbonate 2891.23
    propanediol butyl ether 720.99
    triethyl orthoformate 5063.18
    p-tert-butyltoluene 2344.28
    methyl 4-tert-butylbenzoate 1144.17
    morpholine 6081.95
    tert-butylamine 4208.86
    n-dodecanol 862.66
    dimethoxymethane 2045.6
    ethylene carbonate 1093.09
    cyrene 624.55
    2-ethoxyethyl acetate 2694.85
    2-ethylhexyl acetate 7784.65
    1,2,4-trichlorobenzene 1655.14
    4-methylpyridine 3755.72
    dibutyl ether 11049.85
    2,6-dimethyl-4-heptanol 3952.4
    DEF 3583.94
    dimethyl isosorbide 2365.72
    tetrachloroethylene 2922.44
    eugenol 746.9
    triacetin 1491.19
    span 80 1280.39
    1,4-butanediol 142.6
    1,1-dichloroethane 5278.06
    2-methyl-1-pentanol 2160.41
    methyl formate 223.44
    2-methyl-1-butanol 2353.82
    n-decane 1690.67
    butyronitrile 3059.25
    3,7-dimethyl-1-octanol 2515.43
    1-chlorooctane 3201.31
    1-chlorotetradecane 1020.97
    n-nonane 2188.41
    undecane 1021.81
    tert-butylcyclohexane 2197.51
    cyclooctane 4298.22
    cyclopentanol 2250.28
    tetrahydropyran 14902.84
    tert-amyl methyl ether 6239.51
    2,5,8-trioxanonane 2104.08
    1-hexene 11497.54
    2-isopropoxyethanol 1308.46
    2,2,2-trifluoroethanol 62.18
    methyl butyrate 4063.91

    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
Grape flower 84929-27-1 Vitis vinifera L., ssp. Gruener Veltliner, fam. Vitaceae 0.8%
Pectis elongata Pectis elongata Kunth, fam. Asteraceae (Compositae) 2.0%