Tridecanenitrile

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  • Identifiers

    CAS number
    629-60-7

    Molecular formula
    C13H25N

    SMILES
    CCCCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Citrus 61.58%
    Fresh 58.77%
    Waxy 55.55%
    Fatty 55.05%
    Green 45.22%
    Aldehydic 41.88%
    Orange 41.35%
    Floral 37.79%
    Fruity 37.59%
    Oily 36.44%

     

    Flavor
    Bland 23.95%
    Delicate 20.88%
    Slightly waxy 20.82%
    Mild 20.12%
    Faint 19.79%
    Waxy 19.49%
    Diterpene 19.2%
    Low 19.13%
    Skunky 19.1%
    Alkane 19.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.38 (neutral)

    Molecular weight
    195.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 125.89 ˚C est.

  • Synonyms

    • TRIDECANENITRILE
    • 629-60-7
    • n-Dodecyl cyanide
    • Dodecyl cyanide
    • 1-Cyanododecane
    • Tridecane nitrile
    • Tridecanonitrile
    • AI3-16570
    • NSC 3886
    • EINECS 211-097-6
    • DTXSID8060876
    • 1Cyanododecane
    • RefChem:191446
    • DTXCID3043578
    • 211-097-6
    • WKJHMKQSIBMURP-UHFFFAOYSA-N
    • N-DODECYLCYANIDE
    • MFCD00039492
    • NSC-3886
    • n-Tridecanonitrile
    • tridecannitril
    • Lauryl Cyanide
    • Tridecanenitrile, 98%
    • YN4CW7SV8Z
    • SCHEMBL60342
    • WLN: NC12
    • SCHEMBL1227613
    • SCHEMBL4755742
    • NSC3886
    • CHEBI:219492
    • SBB016935
    • AKOS000279580
    • SY053365
    • DB-054349
    • CS-0362715
    • NS00035232
    • T0819
    • D92403
    • 629-60-7

  • Applications

    Tridecanenitrile (CAS 629-60-7) is primarily used as a long-chain nitrile intermediate in organic synthesis, serving as a building block for specialty chemicals such as fragrance-related compounds and other functional derivatives. It can function as a nonpolar solvent or processing aid in various industrial manufacturing steps. Through hydrolysis or selective functionalization, it provides access to carboxylic acids, amides, and related derivatives used in polymers, coatings, and adhesive formulations. It may also serve as a starting material for the production of other specialty chemicals in selected applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1307.41
    methanol 1090.64
    isopropanol 1469.67
    water 0.03
    ethyl acetate 4104.22
    n-propanol 1477.54
    acetone 6412.25
    n-butanol 1371.88
    acetonitrile 2381.3
    DMF 4119.25
    toluene 1735.22
    isobutanol 1213.46
    1,4-dioxane 4363.96
    methyl acetate 2620.52
    THF 8651.06
    2-butanone 4099.72
    n-pentanol 930.02
    sec-butanol 1299.78
    n-hexane 1768.38
    ethylene glycol 123.16
    NMP 3874.51
    cyclohexane 4159.36
    DMSO 5349.3
    n-butyl acetate 3942.06
    n-octanol 699.27
    chloroform 6765.3
    n-propyl acetate 2929.38
    acetic acid 1252.01
    dichloromethane 6503.29
    cyclohexanone 8531.11
    propylene glycol 273.19
    isopropyl acetate 2635.59
    DMAc 2549.13
    2-ethoxyethanol 1039.1
    isopentanol 1253.33
    n-heptane 1670.87
    ethyl formate 1647.13
    1,2-dichloroethane 5338.95
    n-hexanol 1433.41
    2-methoxyethanol 1676.61
    isobutyl acetate 1697.95
    tetrachloromethane 1954.92
    n-pentyl acetate 2289.29
    transcutol 4074.37
    n-heptanol 639.7
    ethylbenzene 884.56
    MIBK 2011.25
    2-propoxyethanol 1682.18
    tert-butanol 1855.91
    MTBE 2745.27
    2-butoxyethanol 1034.59
    propionic acid 1415.71
    o-xylene 874.64
    formic acid 161.47
    diethyl ether 4192.62
    m-xylene 975.72
    p-xylene 1187.49
    chlorobenzene 2579.67
    dimethyl carbonate 789.24
    n-octane 407.83
    formamide 399.35
    cyclopentanone 8247.71
    2-pentanone 4220.37
    anisole 1355.44
    cyclopentyl methyl ether 4840.11
    gamma-butyrolactone 6688.66
    1-methoxy-2-propanol 1554.37
    pyridine 4458.2
    3-pentanone 3284.81
    furfural 3728.33
    n-dodecane 154.32
    diethylene glycol 695.84
    diisopropyl ether 1503.42
    tert-amyl alcohol 1359.46
    acetylacetone 4015.85
    n-hexadecane 193.05
    acetophenone 1319.94
    methyl propionate 2581.8
    isopentyl acetate 2847.65
    trichloroethylene 7448.78
    n-nonanol 599.66
    cyclohexanol 2473.99
    benzyl alcohol 745.03
    2-ethylhexanol 1292.03
    isooctanol 603.18
    dipropyl ether 4243.92
    1,2-dichlorobenzene 2273.08
    ethyl lactate 670.25
    propylene carbonate 2922.94
    n-methylformamide 1514.1
    2-pentanol 1291.98
    n-pentane 1063.2
    1-propoxy-2-propanol 1959.21
    1-methoxy-2-propyl acetate 2225.85
    2-(2-methoxypropoxy) propanol 776.63
    mesitylene 720.49
    ε-caprolactone 4497.25
    p-cymene 693.16
    epichlorohydrin 5045.24
    1,1,1-trichloroethane 5484.33
    2-aminoethanol 357.74
    morpholine-4-carbaldehyde 2710.17
    sulfolane 7287.58
    2,2,4-trimethylpentane 272.85
    2-methyltetrahydrofuran 5847.3
    n-hexyl acetate 2251.53
    isooctane 257.98
    2-(2-butoxyethoxy)ethanol 1162.95
    sec-butyl acetate 1878.13
    tert-butyl acetate 2628.84
    decalin 693.59
    glycerin 318.61
    diglyme 2885.29
    acrylic acid 1017.58
    isopropyl myristate 858.05
    n-butyric acid 2620.65
    acetyl acetate 2294.57
    di(2-ethylhexyl) phthalate 477.88
    ethyl propionate 2403.32
    nitromethane 3422.2
    1,2-diethoxyethane 3085.16
    benzonitrile 1640.1
    trioctyl phosphate 435.18
    1-bromopropane 4165.9
    gamma-valerolactone 5936.96
    n-decanol 408.73
    triethyl phosphate 958.25
    4-methyl-2-pentanol 679.62
    propionitrile 2389.6
    vinylene carbonate 2286.24
    1,1,2-trichlorotrifluoroethane 2790.16
    DMS 1271.82
    cumene 530.54
    2-octanol 578.35
    2-hexanone 2843.86
    octyl acetate 916.44
    limonene 1462.83
    1,2-dimethoxyethane 3081.14
    ethyl orthosilicate 977.41
    tributyl phosphate 626.46
    diacetone alcohol 1740.69
    N,N-dimethylaniline 804.93
    acrylonitrile 2135.19
    aniline 1386.43
    1,3-propanediol 640.35
    bromobenzene 3178.11
    dibromomethane 5088.39
    1,1,2,2-tetrachloroethane 6466.44
    2-methyl-cyclohexyl acetate 1631.82
    tetrabutyl urea 814.32
    diisobutyl methanol 946.73
    2-phenylethanol 847.85
    styrene 1250.73
    dioctyl adipate 1140.93
    dimethyl sulfate 1360.61
    ethyl butyrate 3218.53
    methyl lactate 680.15
    butyl lactate 1127.47
    diethyl carbonate 1596.28
    propanediol butyl ether 764.19
    triethyl orthoformate 1988.03
    p-tert-butyltoluene 681.23
    methyl 4-tert-butylbenzoate 1025.6
    morpholine 4687.42
    tert-butylamine 1483.27
    n-dodecanol 328.75
    dimethoxymethane 2510.61
    ethylene carbonate 2343.87
    cyrene 758.46
    2-ethoxyethyl acetate 2020.55
    2-ethylhexyl acetate 2434.87
    1,2,4-trichlorobenzene 2189.81
    4-methylpyridine 3486.29
    dibutyl ether 2665.9
    2,6-dimethyl-4-heptanol 946.73
    DEF 3457.17
    dimethyl isosorbide 1753.08
    tetrachloroethylene 4552.57
    eugenol 779.75
    triacetin 1672.03
    span 80 907.68
    1,4-butanediol 257.55
    1,1-dichloroethane 5042.98
    2-methyl-1-pentanol 770.07
    methyl formate 1096.4
    2-methyl-1-butanol 1065.47
    n-decane 369.4
    butyronitrile 2650.7
    3,7-dimethyl-1-octanol 736.37
    1-chlorooctane 1123.4
    1-chlorotetradecane 355.39
    n-nonane 456.5
    undecane 217.37
    tert-butylcyclohexane 491.69
    cyclooctane 1107.37
    cyclopentanol 2606.26
    tetrahydropyran 7717.79
    tert-amyl methyl ether 1790.06
    2,5,8-trioxanonane 1622.15
    1-hexene 2820.92
    2-isopropoxyethanol 885.28
    2,2,2-trifluoroethanol 437.51
    methyl butyrate 3280.36

    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