Nitroglycerin

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  • Identifiers

    CAS number
    55-63-0

    Molecular formula
    C3H5N3O9

    SMILES
    C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

    Safety labels

    Explosive
    Explosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 68.64%
    Winey 24.0%
    Clean 22.09%
    Ethereal 21.64%
    Alcoholic 21.29%
    Sour 20.87%
    Sweet 18.41%
    Buttery 16.14%
    Oily 15.23%
    Fatty 14.64%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    227.09 g/mol

    Melting point expt.

    • 13.5 undefined
    • Crystalizes in 2 forms: labile form, 2.8 °C; stable form, 13.5 °C
    • 13.5 °C
    • 56 °F

    Boiling point

    • 160 undefined
    • Explodes at 218 °C
    • BOILING POINT: 125 °C @ 2 MM HG
    • at 2kPa: 160 °C
    • Begins to decompose at 122-140 °F

    Flash point est.
    86.44 ˚C

    Flash point expt.

    • explodes
    • Explodes

    Solubility expt.

    • poor solubility in water
    • Sparingly sol in petroleum ether, liq petrolatum, glycerol.
    • One gram dissolves in 4 grams ethanol, 18 g methanol, 120 g carbon disulfide.
    • Miscible with glacial acetic acid, nitrobenzene, pyridine, ethylene bromide, dichloroethylene, ethyl acetate.
    • 1 g in 800 ml water.
    • For more Solubility (Complete) data for NITROGLYCERIN (6 total), please visit the HSDB record page.
    • 2.04e-01 g/L
    • Solubility in water: poor
    • 0.1%

  • Synonyms

    • nitroglycerin
    • Glyceryl trinitrate
    • Trinitroglycerin
    • Nitrostat
    • 55-63-0
    • Nitroglycerine
    • Nitroglycerol
    • Trinitroglycerol
    • Nitro-dur
    • Minitran
    • Transderm-nitro
    • Glycerol trinitrate
    • Nitrolingual
    • Trinitrin
    • Nitronet
    • Nitora
    • Tridil
    • Lenitral
    • Nitroderm
    • Nitroglyn
    • Nitrospan
    • Niong
    • NitroMist
    • Transderm Nitro
    • Nitro-Bid
    • Nitroglicerina
    • Nitrostabilin
    • Angiolingual
    • Cardamist
    • Epinitril
    • Klavikordal
    • Myoglycerin
    • Natispray
    • Niglycon
    • Nitrocine
    • Nitrolan
    • Nitroletten
    • Nitrolowe
    • Nitromel
    • Nitronal
    • Nitrorectal
    • Nitroretard
    • Nysconitrine
    • Perglottal
    • Perlinganit
    • Rectogesic
    • Susadrin
    • Sustonit
    • Temponitrin
    • Trinalgon
    • Trinitrol
    • Vasoglyn
    • Angibid
    • Angorin
    • Glonoin
    • Niglin
    • Nitrong
    • Soup
    • Gilucor nitro
    • Blasting gelatin
    • Nitro-lent
    • Nitrozell retard
    • Nitro-Span
    • Nitroderm TTS
    • Nitrine-TDC
    • propane-1,2,3-triyl trinitrate
    • Cordipatch
    • Corditrine
    • Glycerin trinitrate
    • Nitrogliceryna
    • Nitroplast
    • Trinitrosan
    • Adesitrin
    • Chitamite
    • Deponit
    • Glonoinum
    • Glytrin
    • Millisrol
    • Nitrodisc
    • Nitrogard
    • Nitroglin
    • Nitromex
    • Nitromint
    • Percutol
    • Suscard
    • Triniplas
    • Myocon
    • Rectiv
    • NitroCor
    • Glyceryl nitrate
    • Transiderm-nitro
    • 1,2,3-Propanetriol, trinitrate
    • Coro-Nitro
    • Nitro-Time
    • Glyceroltrinitraat
    • Propanetriol Trinitrate
    • Nitrolingual Spray
    • NITRO IV
    • Gonitro
    • Transderm-Nitro TTS
    • Glycerintrinitrate
    • 1,2,3-Propanetriyl nitrate
    • Glycerol, nitric acid triester
    • Nitroglycerin (NG)
    • Trinitrine
    • SK-106N
    • 1,3-dinitrooxypropan-2-yl nitrate
    • Glycerol(trinitrate de)
    • Nitrol (pharmaceutical)
    • Trinitrin Tablets
    • NG
    • Rcra waste number P081
    • IMX-150
    • Diluted nitroglycerin
    • NITROLINGUAL PUMPSPRAY
    • NTG
    • 1,2,3-propanetrioltrinitrate
    • Nitroglycerin in Dextrose 5%
    • NK-843
    • Nitromed
    • 1,2,3-Propanetriol trinitrate
    • Glycerol Nitric Acid Triester
    • G59M7S0WS3
    • GTN
    • CHEBI:28787
    • C01DA02
    • Gilustenon
    • Trinitrolong

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.89
    methanol 197.82
    isopropanol 38.25
    water 63.9
    ethyl acetate 136.21
    n-propanol 43.88
    acetone 398.04
    n-butanol 31.29
    acetonitrile 251.33
    DMF 681.66
    toluene 39.65
    isobutanol 24.25
    1,4-dioxane 257.97
    methyl acetate 209.65
    THF 178.66
    2-butanone 204.42
    n-pentanol 38.9
    sec-butanol 35.26
    n-hexane 3.9
    ethylene glycol 69.01
    NMP 558.38
    cyclohexane 6.52
    DMSO 1226.16
    n-butyl acetate 77.6
    n-octanol 53.41
    chloroform 41.96
    n-propyl acetate 87.01
    acetic acid 61.48
    dichloromethane 120.87
    cyclohexanone 190.24
    propylene glycol 28.52
    isopropyl acetate 63.34
    DMAc 774.45
    2-ethoxyethanol 191.12
    isopentanol 24.85
    n-heptane 6.24
    ethyl formate 124.8
    1,2-dichloroethane 171.44
    n-hexanol 29.17
    2-methoxyethanol 236.25
    isobutyl acetate 27.14
    tetrachloromethane 6.74
    n-pentyl acetate 69.19
    transcutol 336.54
    n-heptanol 26.65
    ethylbenzene 21.48
    MIBK 58.91
    2-propoxyethanol 109.59
    tert-butanol 51.44
    MTBE 56.99
    2-butoxyethanol 73.29
    propionic acid 69.15
    o-xylene 45.34
    formic acid 141.14
    diethyl ether 90.45
    m-xylene 26.4
    p-xylene 29.94
    chlorobenzene 41.6
    dimethyl carbonate 129.37
    n-octane 6.19
    formamide 297.64
    cyclopentanone 201.08
    2-pentanone 130.6
    anisole 70.02
    cyclopentyl methyl ether 58.99
    gamma-butyrolactone 320.6
    1-methoxy-2-propanol 116.02
    pyridine 156.48
    3-pentanone 156.56
    furfural 288.35
    n-dodecane 7.72
    diethylene glycol 128.95
    diisopropyl ether 19.81
    tert-amyl alcohol 46.0
    acetylacetone 230.65
    n-hexadecane 8.49
    acetophenone 116.07
    methyl propionate 159.5
    isopentyl acetate 46.18
    trichloroethylene 149.71
    n-nonanol 50.83
    cyclohexanol 32.75
    benzyl alcohol 63.14
    2-ethylhexanol 22.05
    isooctanol 18.25
    dipropyl ether 41.91
    1,2-dichlorobenzene 48.41
    ethyl lactate 64.92
    propylene carbonate 106.45
    n-methylformamide 314.07
    2-pentanol 21.75
    n-pentane 4.23
    1-propoxy-2-propanol 73.21
    1-methoxy-2-propyl acetate 88.5
    2-(2-methoxypropoxy) propanol 122.64
    mesitylene 19.44
    ε-caprolactone 163.76
    p-cymene 19.87
    epichlorohydrin 244.43
    1,1,1-trichloroethane 39.34
    2-aminoethanol 57.45
    morpholine-4-carbaldehyde 434.3
    sulfolane 464.19
    2,2,4-trimethylpentane 2.41
    2-methyltetrahydrofuran 92.3
    n-hexyl acetate 87.86
    isooctane 1.19
    2-(2-butoxyethoxy)ethanol 146.32
    sec-butyl acetate 40.6
    tert-butyl acetate 62.82
    decalin 3.79
    glycerin 63.48
    diglyme 247.08
    acrylic acid 78.47
    isopropyl myristate 44.09
    n-butyric acid 46.55
    acetyl acetate 73.77
    di(2-ethylhexyl) phthalate 43.42
    ethyl propionate 93.6
    nitromethane 512.03
    1,2-diethoxyethane 159.16
    benzonitrile 87.77
    trioctyl phosphate 35.08
    1-bromopropane 44.56
    gamma-valerolactone 347.35
    n-decanol 42.69
    triethyl phosphate 48.37
    4-methyl-2-pentanol 12.34
    propionitrile 112.07
    vinylene carbonate 118.1
    1,1,2-trichlorotrifluoroethane 128.13
    DMS 113.72
    cumene 15.24
    2-octanol 27.24
    2-hexanone 91.25
    octyl acetate 63.43
    limonene 28.27
    1,2-dimethoxyethane 317.84
    ethyl orthosilicate 36.22
    tributyl phosphate 45.55
    diacetone alcohol 84.41
    N,N-dimethylaniline 60.41
    acrylonitrile 189.87
    aniline 50.81
    1,3-propanediol 60.92
    bromobenzene 34.86
    dibromomethane 61.56
    1,1,2,2-tetrachloroethane 107.32
    2-methyl-cyclohexyl acetate 42.28
    tetrabutyl urea 96.68
    diisobutyl methanol 13.89
    2-phenylethanol 47.58
    styrene 27.22
    dioctyl adipate 67.75
    dimethyl sulfate 280.54
    ethyl butyrate 69.0
    methyl lactate 101.89
    butyl lactate 55.45
    diethyl carbonate 48.71
    propanediol butyl ether 86.86
    triethyl orthoformate 46.85
    p-tert-butyltoluene 18.6
    methyl 4-tert-butylbenzoate 93.13
    morpholine 183.42
    tert-butylamine 23.89
    n-dodecanol 35.14
    dimethoxymethane 318.75
    ethylene carbonate 103.27
    cyrene 117.03
    2-ethoxyethyl acetate 121.03
    2-ethylhexyl acetate 42.63
    1,2,4-trichlorobenzene 55.22
    4-methylpyridine 146.34
    dibutyl ether 60.81
    2,6-dimethyl-4-heptanol 13.89
    DEF 242.91
    dimethyl isosorbide 156.31
    tetrachloroethylene 74.85
    eugenol 85.42
    triacetin 109.85
    span 80 69.43
    1,4-butanediol 46.41
    1,1-dichloroethane 54.88
    2-methyl-1-pentanol 28.35
    methyl formate 302.81
    2-methyl-1-butanol 24.77
    n-decane 11.09
    butyronitrile 66.3
    3,7-dimethyl-1-octanol 34.66
    1-chlorooctane 33.41
    1-chlorotetradecane 18.83
    n-nonane 10.07
    undecane 9.25
    tert-butylcyclohexane 2.47
    cyclooctane 3.46
    cyclopentanol 33.7
    tetrahydropyran 85.4
    tert-amyl methyl ether 56.12
    2,5,8-trioxanonane 222.21
    1-hexene 12.36
    2-isopropoxyethanol 96.42
    2,2,2-trifluoroethanol 78.76
    methyl butyrate 108.92

    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