Tetramethylsuccinonitrile

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  • Identifiers

    CAS number
    3333-52-6

    Molecular formula
    C8H12N2

    SMILES
    CC(C)(C#N)C(C)(C)C#N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 44.88%
    Herbal 44.52%
    Camphoreous 40.26%
    Green 38.33%
    Mint 38.07%
    Spicy 37.8%
    Citrus 37.18%
    Dry 32.18%
    Earthy 30.78%
    Pine 27.29%

     

    Flavor
    Bitter 31.19%
    Oriental 17.79%
    Bland 17.73%
    Cedarleaf 17.73%
    Green pepper 17.64%
    Nitrile 17.57%
    Carrot 17.26%
    Broom 17.11%
    Heather 17.01%
    Bloody 16.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.19 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 338.9 to 340.7 °F (sublimes) (NTP, 1992)
    • 170.5 °C
    • 170 °C (sublimes)
    • 338 °F (Sublimes)

    Boiling point

    • Sublimes (NIOSH, 2024)
    • Sublimes

    Flash point

    • 99.22 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)
    • Soluble in ethanol
    • Insoluble in water
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • Tetramethylsuccinonitrile
    • 3333-52-6
    • 2,2,3,3-Tetramethylsuccinonitrile
    • 2,2,3,3-Tetramethylbutanedinitrile
    • Butanedinitrile, tetramethyl-
    • Tetramethyl succinonitrile
    • Tetramethylsuccinodinitrile
    • TETRAMETHYLBUTANEDINITRILE
    • Succinonitrile, tetramethyl-
    • Tetramethylsuccinotrile
    • TMSN
    • Tetramethylsuccinic acid dinitrile
    • 2,3-Dicyano-2,3-dimethylbutane
    • NSC 39746
    • Tetramethylsukcinonitril
    • CCRIS 1551
    • HSDB 7193
    • UNII-116XMU2GHK
    • 116XMU2GHK
    • MFCD00040683
    • BRN 1752813
    • DTXSID0026125
    • AI3-23333
    • 2,2,3,3-Tetramethyl-succinonitrile
    • NSC-39746
    • DTXCID406125
    • ZVQXQPNJHRNGID-UHFFFAOYSA-
    • 4-02-00-02054 (Beilstein Handbook Reference)
    • TETRAMETHYLSUCCINONITRILE [HSDB]
    • BUTANEDINITRILE, 2,2,3,3-TETRAMETHYL-
    • Tetramethylsukcinonitril [Czech]
    • CP 75475
    • SCHEMBL576290
    • CHEMBL3182970
    • 2,2,3,3Tetramethylbutanedinitrile
    • NSC39746
    • WLN: NCX1&1&X1&1&CN
    • Tox21_200573
    • BBL104218
    • STL558082
    • 2,2,3,3-tetramethyl-butanedinitrile
    • 2,2,3,3-Tetramethylsuccinonitrile #
    • AKOS003333998
    • FT41884
    • NCGC00248713-01
    • NCGC00258127-01
    • Tetramethyl succinonitrile (ACGIH:OSHA)
    • BS-43981
    • SY051169
    • CAS-3333-52-6
    • DB-337816
    • CS-0154962
    • NS00020194
    • T0155
    • D92309
    • EN300-198103
    • Q7706592
    • 608-859-9

  • Applications

    Tetramethylsuccinonitrile (CAS number: 3333-52-6) is used primarily as an organic synthesis intermediate and building block for nitrile-containing compounds in the production of specialty polymers and plastics; it also serves as a crosslinking agent in coatings and adhesives systems to enhance film strength and chemical resistance; it functions as a precursor for other industrial chemicals, including pharmaceutical intermediates, electronic materials, and agrochemical components, with use regulated by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.44
    methanol 216.26
    isopropanol 119.79
    water 21.62
    ethyl acetate 302.74
    n-propanol 124.98
    acetone 455.83
    n-butanol 90.69
    acetonitrile 379.85
    DMF 633.46
    toluene 123.76
    isobutanol 88.51
    1,4-dioxane 476.53
    methyl acetate 394.68
    THF 568.47
    2-butanone 315.94
    n-pentanol 70.0
    sec-butanol 97.19
    n-hexane 34.99
    ethylene glycol 83.87
    NMP 667.44
    cyclohexane 54.79
    DMSO 444.56
    n-butyl acetate 168.81
    n-octanol 80.77
    chloroform 695.4
    n-propyl acetate 170.01
    acetic acid 280.89
    dichloromethane 518.35
    cyclohexanone 385.17
    propylene glycol 80.48
    isopropyl acetate 192.1
    DMAc 506.65
    2-ethoxyethanol 146.74
    isopentanol 71.58
    n-heptane 30.04
    ethyl formate 229.69
    1,2-dichloroethane 318.9
    n-hexanol 93.41
    2-methoxyethanol 251.93
    isobutyl acetate 102.72
    tetrachloromethane 237.93
    n-pentyl acetate 126.34
    transcutol 323.75
    n-heptanol 74.7
    ethylbenzene 98.95
    MIBK 134.42
    2-propoxyethanol 180.93
    tert-butanol 145.26
    MTBE 148.78
    2-butoxyethanol 138.27
    propionic acid 230.8
    o-xylene 118.04
    formic acid 201.98
    diethyl ether 181.26
    m-xylene 101.29
    p-xylene 179.35
    chlorobenzene 247.29
    dimethyl carbonate 214.03
    n-octane 17.72
    formamide 372.85
    cyclopentanone 583.93
    2-pentanone 221.53
    anisole 213.29
    cyclopentyl methyl ether 228.14
    gamma-butyrolactone 680.12
    1-methoxy-2-propanol 198.51
    pyridine 347.05
    3-pentanone 226.19
    furfural 582.09
    n-dodecane 12.98
    diethylene glycol 170.89
    diisopropyl ether 76.13
    tert-amyl alcohol 116.89
    acetylacetone 374.88
    n-hexadecane 14.91
    acetophenone 225.22
    methyl propionate 280.02
    isopentyl acetate 143.02
    trichloroethylene 652.36
    n-nonanol 73.87
    cyclohexanol 104.2
    benzyl alcohol 122.66
    2-ethylhexanol 68.17
    isooctanol 60.68
    dipropyl ether 117.84
    1,2-dichlorobenzene 270.5
    ethyl lactate 106.83
    propylene carbonate 405.84
    n-methylformamide 407.83
    2-pentanol 72.58
    n-pentane 28.28
    1-propoxy-2-propanol 134.92
    1-methoxy-2-propyl acetate 203.46
    2-(2-methoxypropoxy) propanol 140.92
    mesitylene 77.89
    ε-caprolactone 317.26
    p-cymene 70.92
    epichlorohydrin 479.92
    1,1,1-trichloroethane 483.26
    2-aminoethanol 113.8
    morpholine-4-carbaldehyde 520.01
    sulfolane 714.34
    2,2,4-trimethylpentane 16.58
    2-methyltetrahydrofuran 342.44
    n-hexyl acetate 170.83
    isooctane 13.09
    2-(2-butoxyethoxy)ethanol 167.4
    sec-butyl acetate 119.25
    tert-butyl acetate 208.69
    decalin 35.95
    glycerin 120.3
    diglyme 348.51
    acrylic acid 249.49
    isopropyl myristate 82.65
    n-butyric acid 199.59
    acetyl acetate 299.8
    di(2-ethylhexyl) phthalate 80.98
    ethyl propionate 176.71
    nitromethane 769.15
    1,2-diethoxyethane 157.09
    benzonitrile 207.73
    trioctyl phosphate 60.71
    1-bromopropane 158.14
    gamma-valerolactone 582.76
    n-decanol 55.93
    triethyl phosphate 100.34
    4-methyl-2-pentanol 48.01
    propionitrile 219.1
    vinylene carbonate 399.87
    1,1,2-trichlorotrifluoroethane 393.73
    DMS 231.44
    cumene 75.28
    2-octanol 56.23
    2-hexanone 162.23
    octyl acetate 98.18
    limonene 88.07
    1,2-dimethoxyethane 303.42
    ethyl orthosilicate 91.29
    tributyl phosphate 69.95
    diacetone alcohol 187.52
    N,N-dimethylaniline 165.65
    acrylonitrile 318.84
    aniline 161.88
    1,3-propanediol 123.4
    bromobenzene 258.18
    dibromomethane 329.5
    1,1,2,2-tetrachloroethane 509.85
    2-methyl-cyclohexyl acetate 139.51
    tetrabutyl urea 95.49
    diisobutyl methanol 51.48
    2-phenylethanol 137.67
    styrene 114.32
    dioctyl adipate 117.32
    dimethyl sulfate 363.59
    ethyl butyrate 156.53
    methyl lactate 167.71
    butyl lactate 104.24
    diethyl carbonate 134.14
    propanediol butyl ether 122.6
    triethyl orthoformate 116.96
    p-tert-butyltoluene 75.44
    methyl 4-tert-butylbenzoate 196.14
    morpholine 378.04
    tert-butylamine 95.11
    n-dodecanol 43.51
    dimethoxymethane 310.13
    ethylene carbonate 311.61
    cyrene 194.98
    2-ethoxyethyl acetate 183.75
    2-ethylhexyl acetate 123.08
    1,2,4-trichlorobenzene 301.33
    4-methylpyridine 298.37
    dibutyl ether 87.65
    2,6-dimethyl-4-heptanol 51.48
    DEF 248.29
    dimethyl isosorbide 312.15
    tetrachloroethylene 406.39
    eugenol 166.28
    triacetin 212.86
    span 80 127.48
    1,4-butanediol 60.88
    1,1-dichloroethane 353.97
    2-methyl-1-pentanol 59.66
    methyl formate 380.66
    2-methyl-1-butanol 71.03
    n-decane 22.1
    butyronitrile 166.36
    3,7-dimethyl-1-octanol 68.56
    1-chlorooctane 73.47
    1-chlorotetradecane 32.56
    n-nonane 21.06
    undecane 16.39
    tert-butylcyclohexane 31.05
    cyclooctane 24.09
    cyclopentanol 167.63
    tetrahydropyran 278.9
    tert-amyl methyl ether 116.37
    2,5,8-trioxanonane 244.55
    1-hexene 76.04
    2-isopropoxyethanol 107.63
    2,2,2-trifluoroethanol 248.32
    methyl butyrate 203.25

    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