Tributyl Citrate

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  • Identifiers

    CAS number
    77-94-1

    Molecular formula
    C18H32O7

    SMILES
    CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fruity 68.59%
    Winey 57.96%
    Herbal 53.09%
    Oily 47.7%
    Sweet 40.55%
    Fatty 39.37%
    Buttery 30.33%
    Caramellic 29.13%
    Apple 27.05%
    Fermented 26.67%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    360.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point est.
    162.53 ˚C

  • Synonyms

    • TRIBUTYL CITRATE
    • 77-94-1
    • Butyl citrate
    • Tri-n-butyl citrate
    • tributyl 2-hydroxypropane-1,2,3-tricarboxylate
    • Citroflex 4
    • Citric acid, tributyl ester
    • n-Butyl citrate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
    • Morflex tbc
    • Butyl citrate (VAN)
    • Citroflex c 4
    • Citric Acid Tributyl Ester
    • NSC 8491
    • NSC-8491
    • EINECS 201-071-2
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
    • UNII-827D5B1B6S
    • BRN 1806072
    • AI3-00394
    • 827D5B1B6S
    • Tributyl 2-hydroxy-1,2,3-propanetricarboxylate
    • BUTYL CITRATE [MI]
    • Citric acid tri-n-butyl ester
    • DTXSID5051442
    • TRIBUTYL CITRATE [MART.]
    • EC 201-071-2
    • TRIBUTYL CITRATE [USP-RS]
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester
    • 4-03-00-01276 (Beilstein Handbook Reference)
    • TRIBUTYL CITRATE [EP IMPURITY]
    • TRIBUTYL ACETYLCITRATE IMPURITY A [EP IMPURITY]
    • TRIBUTYL CITRATE (MART.)
    • TRIBUTYL CITRATE (USP-RS)
    • Tributyl citrate Solution in Hexane
    • TRIBUTYL CITRATE (EP IMPURITY)
    • 201-071-2
    • tributyl citric acid
    • C18H32O7
    • TRIBUTYL ACETYLCITRATE IMPURITY A (EP IMPURITY)
    • nButyl citrate
    • Trinbutyl citrate
    • Tributyl Acetylcitrate Imp. A (EP); Tributyl 2-Hydroxypropane-1,2,3-tricarboxylate; Tributyl Citrate; Tributyl Acetylcitrate Impurity A
    • Tributyl citrate [NF]
    • Tributyl2-hydroxypropane-1,2,3-tricarboxylate
    • SCHEMBL24668
    • Tributyl citrate, >=97.0%
    • TRIBUTYL CITRATE [INCI]
    • CHEMBL2107619
    • DTXCID0030039
    • NSC8491
    • CHEBI:176825
    • Citric acid, tributyl ester (8CI)
    • MFCD00027217
    • MSK002115
    • AKOS015839595
    • CS-W014478
    • DS-4667
    • HY-W013762
    • 1ST002115
    • DB-056272
    • MSK002115-1000
    • Tributyl 2hydroxy1,2,3propanetricarboxylate
    • C0366
    • NS00009811
    • Tributyl citrate Solution in Hexane, 1000?g/mL
    • 1ST002115-1000
    • A839297
    • Tributyl 2-hydroxy-1,2,3-propanetricarboxylate #
    • Tributyl citrate Solution in Hexane, 1000mug/mL
    • Q1954892
    • 2-Hydroxy-1,3-propanetricarboxylic acid, tributyl ester
    • 2Hydroxy1,2,3propanetricarboxylic acid, tributyl ester
    • 1,2,3Propanetricarboxylic acid, 2hydroxy, tributyl ester
    • 1,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
    • 2Hydroxy1,2,3propanetricarboxylic acid 1,2,3tributyl ester
    • 1,2,3Propanetricarboxylic acid, 2hydroxy, 1,2,3tributyl ester
    • Tributyl 2-Hydroxypropane-1,2,3-tricarboxylate (Tributyl Citrate)
    • Tributyl citrate, United States Pharmacopeia (USP) Reference Standard
    • Tributyl citrate, Pharmaceutical Secondary Standard; Certified Reference Material

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 396.6
    methanol 686.83
    isopropanol 305.65
    water 1.58
    ethyl acetate 1286.02
    n-propanol 378.93
    acetone 1638.49
    n-butanol 306.93
    acetonitrile 848.6
    DMF 5187.82
    toluene 609.27
    isobutanol 317.55
    1,4-dioxane 908.07
    methyl acetate 1386.86
    THF 2336.7
    2-butanone 1299.71
    n-pentanol 240.83
    sec-butanol 360.94
    n-hexane 36.4
    ethylene glycol 126.57
    NMP 8679.41
    cyclohexane 77.89
    DMSO 4539.72
    n-butyl acetate 672.2
    n-octanol 133.36
    chloroform 3601.29
    n-propyl acetate 727.05
    acetic acid 2062.46
    dichloromethane 3973.3
    cyclohexanone 2570.28
    propylene glycol 220.6
    isopropyl acetate 831.27
    DMAc 6021.73
    2-ethoxyethanol 697.84
    isopentanol 293.31
    n-heptane 16.37
    ethyl formate 762.36
    1,2-dichloroethane 2693.82
    n-hexanol 183.55
    2-methoxyethanol 1218.2
    isobutyl acetate 386.73
    tetrachloromethane 434.25
    n-pentyl acetate 554.06
    transcutol 2034.9
    n-heptanol 122.02
    ethylbenzene 291.43
    MIBK 567.82
    2-propoxyethanol 620.31
    tert-butanol 428.75
    MTBE 497.14
    2-butoxyethanol 423.1
    propionic acid 1146.86
    o-xylene 464.54
    formic acid 902.59
    diethyl ether 386.17
    m-xylene 354.54
    p-xylene 400.56
    chlorobenzene 1146.58
    dimethyl carbonate 1136.42
    n-octane 9.54
    formamide 1836.9
    cyclopentanone 3544.23
    2-pentanone 1064.96
    anisole 674.0
    cyclopentyl methyl ether 1258.39
    gamma-butyrolactone 5163.8
    1-methoxy-2-propanol 982.87
    pyridine 1768.45
    3-pentanone 1060.13
    furfural 3630.78
    n-dodecane 8.04
    diethylene glycol 453.33
    diisopropyl ether 131.97
    tert-amyl alcohol 507.08
    acetylacetone 1960.73
    n-hexadecane 9.64
    acetophenone 1186.01
    methyl propionate 1555.3
    isopentyl acetate 601.2
    trichloroethylene 5980.37
    n-nonanol 136.24
    cyclohexanol 592.52
    benzyl alcohol 604.74
    2-ethylhexanol 146.38
    isooctanol 108.15
    dipropyl ether 203.41
    1,2-dichlorobenzene 1337.57
    ethyl lactate 486.59
    propylene carbonate 2641.38
    n-methylformamide 2163.68
    2-pentanol 245.29
    n-pentane 29.58
    1-propoxy-2-propanol 447.42
    1-methoxy-2-propyl acetate 898.71
    2-(2-methoxypropoxy) propanol 593.29
    mesitylene 183.6
    ε-caprolactone 2585.0
    p-cymene 138.66
    epichlorohydrin 3941.62
    1,1,1-trichloroethane 2219.34
    2-aminoethanol 327.75
    morpholine-4-carbaldehyde 3990.59
    sulfolane 7639.25
    2,2,4-trimethylpentane 28.95
    2-methyltetrahydrofuran 1542.23
    n-hexyl acetate 640.0
    isooctane 12.61
    2-(2-butoxyethoxy)ethanol 671.38
    sec-butyl acetate 536.82
    tert-butyl acetate 856.6
    decalin 58.92
    glycerin 447.21
    diglyme 1385.28
    acrylic acid 1294.58
    isopropyl myristate 197.03
    n-butyric acid 1290.18
    acetyl acetate 1234.55
    di(2-ethylhexyl) phthalate 272.09
    ethyl propionate 780.15
    nitromethane 4792.79
    1,2-diethoxyethane 528.53
    benzonitrile 806.54
    trioctyl phosphate 160.98
    1-bromopropane 893.17
    gamma-valerolactone 4768.4
    n-decanol 91.32
    triethyl phosphate 370.48
    4-methyl-2-pentanol 144.1
    propionitrile 571.55
    vinylene carbonate 2394.05
    1,1,2-trichlorotrifluoroethane 3414.48
    DMS 1037.51
    cumene 183.01
    2-octanol 94.64
    2-hexanone 581.66
    octyl acetate 285.22
    limonene 248.31
    1,2-dimethoxyethane 1109.04
    ethyl orthosilicate 297.61
    tributyl phosphate 267.11
    diacetone alcohol 963.67
    N,N-dimethylaniline 558.81
    acrylonitrile 1043.7
    aniline 859.51
    1,3-propanediol 436.1
    bromobenzene 1249.35
    dibromomethane 2189.97
    1,1,2,2-tetrachloroethane 4680.92
    2-methyl-cyclohexyl acetate 505.29
    tetrabutyl urea 386.26
    diisobutyl methanol 86.73
    2-phenylethanol 383.15
    styrene 420.32
    dioctyl adipate 408.62
    dimethyl sulfate 2883.46
    ethyl butyrate 536.62
    methyl lactate 946.87
    butyl lactate 489.75
    diethyl carbonate 422.77
    propanediol butyl ether 436.87
    triethyl orthoformate 378.25
    p-tert-butyltoluene 128.62
    methyl 4-tert-butylbenzoate 842.41
    morpholine 1456.43
    tert-butylamine 235.26
    n-dodecanol 64.07
    dimethoxymethane 1591.35
    ethylene carbonate 1715.59
    cyrene 927.39
    2-ethoxyethyl acetate 880.64
    2-ethylhexyl acetate 494.08
    1,2,4-trichlorobenzene 1830.69
    4-methylpyridine 2053.25
    dibutyl ether 209.32
    2,6-dimethyl-4-heptanol 86.73
    DEF 2193.1
    dimethyl isosorbide 1305.16
    tetrachloroethylene 2667.22
    eugenol 599.7
    triacetin 1059.47
    span 80 476.02
    1,4-butanediol 183.45
    1,1-dichloroethane 2041.4
    2-methyl-1-pentanol 263.11
    methyl formate 1604.08
    2-methyl-1-butanol 347.97
    n-decane 15.04
    butyronitrile 456.23
    3,7-dimethyl-1-octanol 157.73
    1-chlorooctane 123.51
    1-chlorotetradecane 43.35
    n-nonane 13.55
    undecane 10.46
    tert-butylcyclohexane 38.03
    cyclooctane 23.36
    cyclopentanol 817.23
    tetrahydropyran 928.67
    tert-amyl methyl ether 518.11
    2,5,8-trioxanonane 923.33
    1-hexene 155.97
    2-isopropoxyethanol 455.86
    2,2,2-trifluoroethanol 1180.1
    methyl butyrate 1081.19

    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