Trimethoprim

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  • Identifiers

    CAS number
    738-70-5

    Molecular formula
    C14H18N4O3

    SMILES
    COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 37.48%
    Vanilla 33.35%
    Animal 27.2%
    Phenolic 27.16%
    Powdery 27.13%
    Burnt 26.61%
    Floral 25.63%
    Odorless 25.53%
    Smoky 24.42%
    Spicy 23.75%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    290.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    754°C

    Melting point expt.

    • 390 to 397 °F (NTP, 1992)
    • 199-203 °C
    • 199 - 203 °C

    Flash point est.
    255.12 ˚C

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)
    • 400 mg/L (at 25 °C)
    • ... Very slightly soluble in water and slightly soluble in alcohol.
    • Soluble in N,N-dimethylacetamide (DMAC) at 13.86; benzyl alcohol at 7.29; propylene glycol at 2.57; chloroform at 1.82; methanol at 1.21; ether at 0.003; benzene at 0.002 g/100 ml at 25 °C.
    • In water, 400 mg/l @ 25 °C
    • 6.15e-01 g/L

  • Synonyms

    • trimethoprim
    • 738-70-5
    • Proloprim
    • Trimpex
    • Trimetoprim
    • 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine
    • Monotrim
    • Monotrimin
    • Trimopan
    • Wellcoprim
    • Bactramin
    • Monoprim
    • Syraprim
    • Triprim
    • Uretrim
    • Trimethoprime
    • Trimethoprimum
    • 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
    • Trimetoprima
    • Abaprim
    • Briscotrim
    • Novotrimel
    • Streptoplus
    • Sulfoxaprim
    • Trimethioprim
    • Urobactrim
    • Wellcoprin
    • Anitrim
    • Antrima
    • Antrimox
    • Bacidal
    • Bacticel
    • Bactoprim
    • Bencole
    • Bethaprim
    • Biosulten
    • Chemotrin
    • Colizole
    • Conprim
    • Cotrimel
    • Duocide
    • Esbesul
    • Espectrin
    • Euctrim
    • Exbesul
    • Fermagex
    • Fortrim
    • Ikaprim
    • Kombinax
    • Lagatrim
    • Lastrim
    • Metoprim
    • Pancidim
    • Protrin
    • Resprim
    • Salvatrim
    • Setprin
    • Sinotrim
    • Sugaprim
    • Sulfamar
    • Sulthrim
    • Sultrex
    • Trimexol
    • Trimezol
    • Trimono
    • Trisulcom
    • Trisulfam
    • Trisural
    • Utetrin
    • Velaten
    • Xeroprim
    • Zamboprim
    • 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
    • Bacdan
    • Bacide
    • Bacin
    • Bacta
    • Deprim
    • Futin
    • Omstat
    • Purbal
    • Roubac
    • Roubal
    • Stopan
    • Toprim
    • Trisul
    • Co-Trimoxizole
    • Lagatrim Forte
    • component of Bactrim
    • Septrin Forte
    • Trimpex 200
    • Alcorim-F
    • Colizole DS
    • Septrin S
    • Septrin DS
    • NSC-106568
    • Trimez-IFSA
    • U-Prin
    • component of Septra
    • Dosulfin
    • NIH 204
    • Resprim Forte
    • BW 56-72
    • Uro-D S
    • Tmp Smx
    • Infectotrimet
    • Trimethoprime [INN-French]
    • Trimethoprimum [INN-Latin]
    • Trimetoprima [INN-Spanish]
    • 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
    • Bacterial [Antibiotic]
    • CCRIS 2410
    • NSC 106568
    • WR 5949
    • CHEBI:45924
    • HSDB 6781
    • TCMDC-125538
    • BW-56-72
    • 5-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine
    • EINECS 212-006-2
    • UNII-AN164J8Y0X
    • MFCD00036761
    • 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
    • BRN 0625127
    • AN164J8Y0X
    • 2,4-Pyrimidinediamine, 5-((3,4,5-trimethoxyphenyl)methyl)-
    • DTXSID3023712
    • AI3-52594

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.97
    methanol 9.58
    isopropanol 1.33
    water 0.27
    ethyl acetate 1.17
    n-propanol 2.68
    acetone 3.27
    n-butanol 2.11
    acetonitrile 2.27
    DMF 16.45
    toluene 0.22
    isobutanol 1.76
    1,4-dioxane 2.06
    methyl acetate 1.99
    THF 5.2
    2-butanone 2.96
    n-pentanol 2.13
    sec-butanol 1.55
    n-hexane 0.05
    ethylene glycol 6.33
    NMP 17.96
    cyclohexane 0.07
    DMSO 65.59
    n-butyl acetate 2.12
    n-octanol 1.25
    chloroform 6.28
    n-propyl acetate 1.65
    acetic acid 15.15
    dichloromethane 7.55
    cyclohexanone 5.43
    propylene glycol 3.37
    isopropyl acetate 0.77
    DMAc 20.35
    2-ethoxyethanol 13.8
    isopentanol 1.91
    n-heptane 0.1
    ethyl formate 5.33
    1,2-dichloroethane 4.61
    n-hexanol 2.53
    2-methoxyethanol 24.58
    isobutyl acetate 1.15
    tetrachloromethane 1.32
    n-pentyl acetate 1.94
    transcutol 10.6
    n-heptanol 2.07
    ethylbenzene 0.24
    MIBK 1.5
    2-propoxyethanol 12.53
    tert-butanol 1.71
    MTBE 0.52
    2-butoxyethanol 7.56
    propionic acid 4.24
    o-xylene 0.33
    formic acid 28.27
    diethyl ether 0.54
    m-xylene 0.25
    p-xylene 0.37
    chlorobenzene 1.08
    dimethyl carbonate 2.8
    n-octane 0.07
    formamide 29.99
    cyclopentanone 7.49
    2-pentanone 1.77
    anisole 0.94
    cyclopentyl methyl ether 1.18
    gamma-butyrolactone 11.47
    1-methoxy-2-propanol 9.54
    pyridine 3.05
    3-pentanone 1.58
    furfural 21.42
    n-dodecane 0.07
    diethylene glycol 21.77
    diisopropyl ether 0.17
    tert-amyl alcohol 1.85
    acetylacetone 3.2
    n-hexadecane 0.07
    acetophenone 2.71
    methyl propionate 2.15
    isopentyl acetate 2.42
    trichloroethylene 9.78
    n-nonanol 1.42
    cyclohexanol 1.37
    benzyl alcohol 2.82
    2-ethylhexanol 1.61
    isooctanol 1.71
    dipropyl ether 0.88
    1,2-dichlorobenzene 2.0
    ethyl lactate 3.7
    propylene carbonate 6.24
    n-methylformamide 13.7
    2-pentanol 0.77
    n-pentane 0.05
    1-propoxy-2-propanol 5.78
    1-methoxy-2-propyl acetate 3.7
    2-(2-methoxypropoxy) propanol 6.66
    mesitylene 0.2
    ε-caprolactone 5.32
    p-cymene 0.65
    epichlorohydrin 13.17
    1,1,1-trichloroethane 2.47
    2-aminoethanol 7.02
    morpholine-4-carbaldehyde 16.03
    sulfolane 29.92
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 1.97
    n-hexyl acetate 2.07
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.85
    sec-butyl acetate 0.77
    tert-butyl acetate 1.29
    decalin 0.07
    glycerin 14.25
    diglyme 14.1
    acrylic acid 6.89
    isopropyl myristate 0.89
    n-butyric acid 5.24
    acetyl acetate 1.43
    di(2-ethylhexyl) phthalate 2.6
    ethyl propionate 1.41
    nitromethane 22.07
    1,2-diethoxyethane 1.95
    benzonitrile 2.92
    trioctyl phosphate 2.0
    1-bromopropane 1.16
    gamma-valerolactone 16.52
    n-decanol 1.07
    triethyl phosphate 2.55
    4-methyl-2-pentanol 0.66
    propionitrile 2.07
    vinylene carbonate 7.42
    1,1,2-trichlorotrifluoroethane 35.44
    DMS 2.46
    cumene 0.32
    2-octanol 1.0
    2-hexanone 2.19
    octyl acetate 1.43
    limonene 0.79
    1,2-dimethoxyethane 9.6
    ethyl orthosilicate 2.09
    tributyl phosphate 2.28
    diacetone alcohol 4.93
    N,N-dimethylaniline 1.11
    acrylonitrile 4.11
    aniline 1.23
    1,3-propanediol 9.6
    bromobenzene 0.79
    dibromomethane 3.76
    1,1,2,2-tetrachloroethane 8.28
    2-methyl-cyclohexyl acetate 2.56
    tetrabutyl urea 3.5
    diisobutyl methanol 0.8
    2-phenylethanol 3.57
    styrene 0.25
    dioctyl adipate 2.06
    dimethyl sulfate 10.44
    ethyl butyrate 1.86
    methyl lactate 6.32
    butyl lactate 3.73
    diethyl carbonate 1.86
    propanediol butyl ether 5.36
    triethyl orthoformate 1.9
    p-tert-butyltoluene 0.56
    methyl 4-tert-butylbenzoate 5.01
    morpholine 3.63
    tert-butylamine 0.6
    n-dodecanol 0.79
    dimethoxymethane 7.79
    ethylene carbonate 4.78
    cyrene 11.11
    2-ethoxyethyl acetate 3.63
    2-ethylhexyl acetate 1.75
    1,2,4-trichlorobenzene 2.54
    4-methylpyridine 1.99
    dibutyl ether 0.67
    2,6-dimethyl-4-heptanol 0.8
    DEF 3.75
    dimethyl isosorbide 11.03
    tetrachloroethylene 6.93
    eugenol 6.14
    triacetin 3.47
    span 80 4.81
    1,4-butanediol 4.27
    1,1-dichloroethane 1.81
    2-methyl-1-pentanol 2.11
    methyl formate 12.25
    2-methyl-1-butanol 1.93
    n-decane 0.1
    butyronitrile 2.08
    3,7-dimethyl-1-octanol 1.2
    1-chlorooctane 0.52
    1-chlorotetradecane 0.27
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 1.97
    tetrahydropyran 1.06
    tert-amyl methyl ether 0.68
    2,5,8-trioxanonane 10.74
    1-hexene 0.22
    2-isopropoxyethanol 5.59
    2,2,2-trifluoroethanol 14.22
    methyl butyrate 2.41

    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