Fusaric Acid

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  • Identifiers

    CAS number
    536-69-6

    Molecular formula
    C10H13NO2

    SMILES
    CCCCC1=CN=C(C=C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 45.49%
    Green 45.26%
    Animal 36.03%
    Herbal 27.41%
    Nutty 27.39%
    Musty 24.71%
    Milky 23.18%
    Roasted 22.86%
    Odorless 22.82%
    Dairy 22.17%

     

    Flavor
    Fatty 36.8%
    Herbal 32.9%
    Oily 32.7%
    Waxy 27.89%
    Musty 27.65%
    Woody 26.68%
    Mild 25.82%
    Odorless 25.48%
    Green 22.87%
    Nutty 22.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.28 (neutral)

    Molecular weight
    179.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Melting point expt.

    • 96-98 °C

    Flash point

    • 156.12 ˚C est.

  • Synonyms

    • fusaric acid
    • 5-Butylpicolinic acid
    • 536-69-6
    • 5-Butylpyridine-2-carboxylic acid
    • Fusarinic acid
    • 5-Butyl-2-pyridinecarboxylic acid
    • 2-Pyridinecarboxylic acid, 5-butyl-
    • Picolinic acid, 5-butyl-
    • 5-n-Butylpyridine-2-carboxylic acid
    • DTXSID5023085
    • JWJ963070N
    • NSC-19870
    • DTXCID703085
    • Acid, Fusaric
    • Fusarate, Calcium
    • 5-Butyl-2-pyridinedicarboxylic Acid
    • 5 Butyl 2 pyridinedicarboxylic Acid
    • Acid, 5-Butyl-2-pyridinedicarboxylic
    • RefChem:141890
    • 208-643-0
    • MFCD00006298
    • 5-Butyl-pyridine-2-carboxylic acid
    • CHEMBL24510
    • NSC19870
    • TNP00268
    • NCGC00015441-04
    • CAS-536-69-6
    • HSDB 3487
    • EINECS 208-643-0
    • NSC 19870
    • BRN 0125804
    • UNII-JWJ963070N
    • Prestwick_233
    • 5-n-butylpicolinic acid
    • Prestwick0_000442
    • Prestwick1_000442
    • Prestwick2_000442
    • Prestwick3_000442
    • 5-n-butyl picolinic acid
    • Lopac-F-6513
    • FUSARIC ACID [MI]
    • FUSARIC ACID [JAN]
    • FUSARIC ACID [HSDB]
    • Lopac0_000526
    • Oprea1_115508
    • WLN: T6NJ BVQ E4
    • 5-n-Butyl-2-picolinic acid
    • BSPBio_000484
    • 5-22-02-00384 (Beilstein Handbook Reference)
    • MLS002153813
    • FUSARIC ACID [MART.]
    • SCHEMBL178006
    • SPBio_002423
    • BPBio1_000534
    • CHEBI:5199
    • SCHEMBL11825272
    • SCHEMBL29406685
    • HMS1569I06
    • HMS2096I06
    • HMS2230M05
    • HMS3261J13
    • HMS3369P03
    • Tox21_110149
    • Tox21_500526
    • BDBM50000439
    • MSK000607
    • STL564384
    • AKOS015891748
    • CCG-204616
    • FF52452
    • Fusaric acid, from Gibberella fujikuroi
    • LP00526
    • SDCCGSBI-0050509.P002
    • NCGC00015441-01
    • NCGC00015441-02
    • NCGC00015441-03
    • NCGC00015441-05
    • NCGC00015441-06
    • NCGC00015441-07
    • NCGC00015441-08
    • NCGC00015441-10
    • NCGC00015441-15
    • NCGC00093919-01
    • NCGC00093919-02
    • NCGC00093919-03
    • NCGC00261211-01
    • AS-57621
    • SMR001233184
    • ST057174
    • SY057309
    • DB-052375
    • HY-128483
    • CS-0099145
    • EU-0100526
    • F0227
    • NS00011724
    • F 6513
    • T72585
    • 5-Butyl-pyridine-2-carboxylic acid (fusaric acid)
    • Q905703
    • SR-01000075634
    • SR-01000075634-1
    • BRD-K87049188-001-03-6
    • Fusaric acid, for HPLC derivatization, >=99.0% (HPLC)
    • Fusarinic acid, 2.5-Butylpicolinic acid, Piconlinic acid
    • 5-Butylpicolinic Acid; 5-Butylpyridine-2-Carboxylic Acid; NSC 135043
    • CQV
    • InChI=1/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13
    • 536-69-6

  • Applications

    Fusaric Acid (CAS 536-69-6) is principally encountered in analytical and basic research contexts rather than consumer formulations. In practice it is used as a reference standard for quantitative analysis of fusaric acid and related mycotoxins in food, feed, and environmental samples; in plant pathology and toxicology studies it serves to investigate Fusarium toxin production, fungal virulence, and phytotoxic effects on crops; in academic chemistry it is treated as a substrate or lead compound for the synthesis of derivatives in structure–activity studies; in coordination chemistry it is used to explore metal-binding properties as a potential ligand; and in method development it supports LC-MS or HPLC calibrations for mycotoxin detection. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 266.02
    methanol 491.77
    isopropanol 111.63
    water 0.32
    ethyl acetate 216.3
    n-propanol 204.58
    acetone 120.15
    n-butanol 137.67
    acetonitrile 33.02
    DMF 582.69
    toluene 32.26
    isobutanol 159.86
    1,4-dioxane 35.18
    methyl acetate 101.7
    THF 159.42
    2-butanone 173.29
    n-pentanol 114.73
    sec-butanol 134.01
    n-hexane 2.12
    ethylene glycol 143.25
    NMP 1130.48
    cyclohexane 1.22
    DMSO 1564.51
    n-butyl acetate 207.94
    n-octanol 16.19
    chloroform 59.92
    n-propyl acetate 98.05
    acetic acid 259.65
    dichloromethane 102.39
    cyclohexanone 309.57
    propylene glycol 190.18
    isopropyl acetate 124.76
    DMAc 705.24
    2-ethoxyethanol 306.93
    isopentanol 176.72
    n-heptane 1.18
    ethyl formate 96.2
    1,2-dichloroethane 150.05
    n-hexanol 146.08
    2-methoxyethanol 697.11
    isobutyl acetate 63.02
    tetrachloromethane 11.67
    n-pentyl acetate 64.08
    transcutol 821.32
    n-heptanol 40.34
    ethylbenzene 19.7
    MIBK 132.48
    2-propoxyethanol 401.79
    tert-butanol 214.95
    MTBE 88.89
    2-butoxyethanol 140.9
    propionic acid 254.18
    o-xylene 37.44
    formic acid 256.47
    diethyl ether 30.49
    m-xylene 47.57
    p-xylene 24.8
    chlorobenzene 56.03
    dimethyl carbonate 88.6
    n-octane 0.48
    formamide 561.36
    cyclopentanone 419.86
    2-pentanone 184.46
    anisole 54.08
    cyclopentyl methyl ether 167.77
    gamma-butyrolactone 573.0
    1-methoxy-2-propanol 514.8
    pyridine 107.97
    3-pentanone 118.87
    furfural 376.11
    n-dodecane 0.45
    diethylene glycol 361.05
    diisopropyl ether 21.82
    tert-amyl alcohol 254.09
    acetylacetone 238.53
    n-hexadecane 0.54
    acetophenone 108.28
    methyl propionate 274.65
    isopentyl acetate 208.65
    trichloroethylene 289.58
    n-nonanol 17.08
    cyclohexanol 113.64
    benzyl alcohol 104.17
    2-ethylhexanol 68.16
    isooctanol 40.44
    dipropyl ether 27.34
    1,2-dichlorobenzene 72.75
    ethyl lactate 90.96
    propylene carbonate 247.09
    n-methylformamide 535.34
    2-pentanol 100.65
    n-pentane 1.42
    1-propoxy-2-propanol 259.85
    1-methoxy-2-propyl acetate 282.49
    2-(2-methoxypropoxy) propanol 150.57
    mesitylene 27.23
    ε-caprolactone 318.41
    p-cymene 19.85
    epichlorohydrin 485.99
    1,1,1-trichloroethane 68.28
    2-aminoethanol 360.55
    morpholine-4-carbaldehyde 458.38
    sulfolane 1133.27
    2,2,4-trimethylpentane 3.89
    2-methyltetrahydrofuran 175.3
    n-hexyl acetate 70.24
    isooctane 3.37
    2-(2-butoxyethoxy)ethanol 230.11
    sec-butyl acetate 80.95
    tert-butyl acetate 185.34
    decalin 3.13
    glycerin 322.02
    diglyme 319.2
    acrylic acid 213.05
    isopropyl myristate 22.78
    n-butyric acid 361.2
    acetyl acetate 85.76
    di(2-ethylhexyl) phthalate 42.43
    ethyl propionate 94.37
    nitromethane 426.57
    1,2-diethoxyethane 84.68
    benzonitrile 79.3
    trioctyl phosphate 29.91
    1-bromopropane 39.32
    gamma-valerolactone 579.89
    n-decanol 14.11
    triethyl phosphate 43.33
    4-methyl-2-pentanol 76.05
    propionitrile 49.42
    vinylene carbonate 164.57
    1,1,2-trichlorotrifluoroethane 461.89
    DMS 96.95
    cumene 20.15
    2-octanol 18.8
    2-hexanone 100.31
    octyl acetate 33.27
    limonene 28.75
    1,2-dimethoxyethane 166.44
    ethyl orthosilicate 39.48
    tributyl phosphate 39.76
    diacetone alcohol 378.5
    N,N-dimethylaniline 56.05
    acrylonitrile 108.86
    aniline 101.28
    1,3-propanediol 360.61
    bromobenzene 49.96
    dibromomethane 53.16
    1,1,2,2-tetrachloroethane 264.15
    2-methyl-cyclohexyl acetate 79.47
    tetrabutyl urea 56.4
    diisobutyl methanol 34.84
    2-phenylethanol 113.99
    styrene 21.38
    dioctyl adipate 44.78
    dimethyl sulfate 271.64
    ethyl butyrate 94.93
    methyl lactate 209.87
    butyl lactate 97.81
    diethyl carbonate 50.06
    propanediol butyl ether 155.84
    triethyl orthoformate 51.87
    p-tert-butyltoluene 19.86
    methyl 4-tert-butylbenzoate 94.51
    morpholine 110.08
    tert-butylamine 75.55
    n-dodecanol 10.65
    dimethoxymethane 220.62
    ethylene carbonate 125.23
    cyrene 169.47
    2-ethoxyethyl acetate 133.31
    2-ethylhexyl acetate 128.76
    1,2,4-trichlorobenzene 109.84
    4-methylpyridine 144.88
    dibutyl ether 13.85
    2,6-dimethyl-4-heptanol 34.84
    DEF 364.92
    dimethyl isosorbide 260.68
    tetrachloroethylene 148.4
    eugenol 108.25
    triacetin 78.19
    span 80 107.03
    1,4-butanediol 129.63
    1,1-dichloroethane 63.64
    2-methyl-1-pentanol 139.9
    methyl formate 209.25
    2-methyl-1-butanol 183.87
    n-decane 0.58
    butyronitrile 49.77
    3,7-dimethyl-1-octanol 34.79
    1-chlorooctane 5.82
    1-chlorotetradecane 2.83
    n-nonane 0.47
    undecane 0.51
    tert-butylcyclohexane 4.08
    cyclooctane 0.73
    cyclopentanol 157.61
    tetrahydropyran 43.21
    tert-amyl methyl ether 105.35
    2,5,8-trioxanonane 216.17
    1-hexene 14.04
    2-isopropoxyethanol 194.28
    2,2,2-trifluoroethanol 89.39
    methyl butyrate 145.9

    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