Diacetyl

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    431-03-8

    Molecular formula
    C4H6O2

    SMILES
    CC(=O)C(=O)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 612.0
    • Carbowax: 972.6

  • Odor profile

    Sweet 90.48%
    Caramellic 81.17%
    Buttery 74.96%
    Creamy 70.45%
    Fatty 59.66%
    Pungent 57.58%
    Oily 44.94%
    Nutty 43.26%
    Milky 43.0%
    Dairy 40.97%

    Scent© AI

    Odor threshold>

    • 8.6 ppb.

  • Properties

    XLogP3-AA
    -1.3

    Molecular weight
    86.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 27.7 °F (NTP, 1992)
    • -1.2 °C
    • -2.4 °C
    • 27.7 °F

    Boiling point

    • 190 °F at 760 mmHg (NTP, 1992)
    • 87.5 °C
    • 87.00 to 88.00 °C. @ 760.00 mm Hg
    • 88 °C
    • 190 °F

    Flash point est.
    20.45 ˚C

    Flash point expt.

    • 80 °F (NTP, 1992)
    • 7 °C (45 °F) - closed cup
    • 80 °F (27 °C) (closed cup)
    • 6 °C c.c.
    • 80 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
    • In water, 200 g/L at 20 °C
    • Soluble in about 4 parts water
    • Readily soluble in all important organic solvents
    • Miscible with ether
    • For more Solubility (Complete) data for DIACETYL (8 total), please visit the HSDB record page.
    • 200 mg/mL at 15 °C
    • Solubility in water, g/100ml at 25 °C: 20
    • soluble in glycerol and water; miscible with alcohol, propylene glycol, and most fixed oils

  • Synonyms

    • 2,3-butanedione
    • diacetyl
    • biacetyl
    • Butane-2,3-dione
    • 431-03-8
    • dimethylglyoxal
    • Butanedione
    • dimethyl diketone
    • 2,3-diketobutane
    • Dimethyl glyoxal
    • 2,3-Butadione
    • butadione
    • 2,3-dioxobutane
    • Glyoxal, dimethyl-
    • Diacetyl (natural)
    • 2,3-butandione
    • FEMA No. 2370
    • Butan-2,3-dione
    • CCRIS 827
    • HSDB 297
    • NSC 8750
    • 2,3-Butanedione-13C2
    • MFCD00008756
    • UN2346
    • AI3-03313
    • 2,3 butandione
    • EINECS 207-069-8
    • UNII-K324J5K4HM
    • BRN 0605398
    • Buta-2,3-dione
    • K324J5K4HM
    • DTXSID6021583
    • CHEBI:16583
    • DIACETYL [FHFI]
    • DIACETYL [HSDB]
    • DIACETYL [FCC]
    • DIACETYL [MI]
    • NSC-8750
    • (CH3CO)2
    • DTXCID701583
    • 4-01-00-03644 (Beilstein Handbook Reference)
    • 1173018-75-1
    • butanodiona
    • Diketobutane
    • Dimethyldiketone
    • 2.3-butanedione
    • 2,3 Butanedione
    • 2,3butanedione
    • 2,3Diketobutane
    • 2,3Dioxobutane
    • butane 2
    • butane-2
    • Glyoxal, dimethyl
    • Biacetyl; BDM
    • 2,3Butadione
    • Butanedione (DOT)
    • Butanodiona (Spanish)
    • Butanedione [UN2346] [Flammable liquid]
    • Lopac-D-3634
    • Butanedione [UN2346]
    • 2,3-Butanedione, 97%
    • Lopac0_000387
    • Diacetyl, natural, >=95%
    • WLN: 1VV1
    • CHEMBL365809
    • SGCUT00113
    • 2,3-Butanedione (8CI,9CI)
    • BDBM22725
    • NSC8750
    • HMS3261M15
    • to_000005
    • Tox21_201218
    • Tox21_500387
    • LMFA12000012
    • 2,3-Butanedione, analytical standard
    • AKOS000118816
    • Diacetyl 1000 microg/mL in Methanol
    • CCG-204481
    • LP00387
    • SDCCGSBI-0050374.P002
    • NCGC00015336-01
    • NCGC00015336-02
    • NCGC00015336-03
    • NCGC00015336-04
    • NCGC00015336-05
    • NCGC00015336-06
    • NCGC00015336-07
    • NCGC00090746-01
    • NCGC00090746-02
    • NCGC00090746-03
    • NCGC00258770-01
    • NCGC00261072-01
    • CAS-431-03-8
    • DB-003226
    • B0682
    • Butanedione [UN2346] [Flammable liquid]
    • EU-0100387
    • NS00003558
    • EN300-19494
    • C00741
    • D 3634
    • W18292
    • A826155
    • Q408916
    • SR-01000075811
    • SR-01000075811-1
    • DEE64962-0BD5-454C-8BDA-FDBD33C47181
    • F0001-1188
    • Flavor and Extract Manufacturers' Association No. 2370
    • 2,3-butanedione, 2,3-butadione, 2,3-diketobutane, dimethyl diketone, dimethylglyoxal, glyoxal, dimethyl-
    • BUO

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 466.58
    methanol 933.75
    isopropanol 389.02
    water 231.27
    ethyl acetate 213.24
    n-propanol 291.31
    acetone 537.21
    n-butanol 241.82
    acetonitrile 633.67
    DMF 836.23
    toluene 62.82
    isobutanol 255.3
    1,4-dioxane 353.12
    methyl acetate 411.11
    THF 370.67
    2-butanone 350.15
    n-pentanol 152.76
    sec-butanol 309.87
    n-hexane 34.67
    ethylene glycol 153.78
    NMP 638.7
    cyclohexane 19.35
    DMSO 648.4
    n-butyl acetate 51.22
    n-octanol 60.67
    chloroform 509.12
    n-propyl acetate 85.79
    acetic acid 500.84
    dichloromethane 544.39
    cyclohexanone 247.16
    propylene glycol 148.53
    isopropyl acetate 110.16
    DMAc 846.98
    2-ethoxyethanol 308.99
    isopentanol 202.14
    n-heptane 12.71
    ethyl formate 285.6
    1,2-dichloroethane 283.99
    n-hexanol 69.58
    2-methoxyethanol 581.33
    isobutyl acetate 42.67
    tetrachloromethane 150.84
    n-pentyl acetate 62.96
    transcutol 335.22
    n-heptanol 51.85
    ethylbenzene 49.84
    MIBK 97.72
    2-propoxyethanol 133.18
    tert-butanol 415.84
    MTBE 259.31
    2-butoxyethanol 114.72
    propionic acid 334.74
    o-xylene 75.6
    formic acid 512.79
    diethyl ether 199.0
    m-xylene 44.11
    p-xylene 91.76
    chlorobenzene 103.13
    dimethyl carbonate 110.09
    n-octane 8.23
    formamide 939.28
    cyclopentanone 348.64
    2-pentanone 198.56
    anisole 131.88
    cyclopentyl methyl ether 144.43
    gamma-butyrolactone 452.47
    1-methoxy-2-propanol 343.13
    pyridine 272.75
    3-pentanone 165.34
    furfural 515.74
    n-dodecane 5.38
    diethylene glycol 133.89
    diisopropyl ether 48.46
    tert-amyl alcohol 363.71
    acetylacetone 201.58
    n-hexadecane 5.87
    acetophenone 135.48
    methyl propionate 206.73
    isopentyl acetate 50.48
    trichloroethylene 455.24
    n-nonanol 54.52
    cyclohexanol 140.87
    benzyl alcohol 134.62
    2-ethylhexanol 40.03
    isooctanol 44.69
    dipropyl ether 45.71
    1,2-dichlorobenzene 112.92
    ethyl lactate 64.12
    propylene carbonate 200.54
    n-methylformamide 671.32
    2-pentanol 160.7
    n-pentane 32.93
    1-propoxy-2-propanol 82.98
    1-methoxy-2-propyl acetate 63.56
    2-(2-methoxypropoxy) propanol 103.93
    mesitylene 29.97
    ε-caprolactone 220.89
    p-cymene 25.4
    epichlorohydrin 422.87
    1,1,1-trichloroethane 268.55
    2-aminoethanol 266.74
    morpholine-4-carbaldehyde 527.28
    sulfolane 439.49
    2,2,4-trimethylpentane 23.17
    2-methyltetrahydrofuran 289.89
    n-hexyl acetate 89.53
    isooctane 9.05
    2-(2-butoxyethoxy)ethanol 127.03
    sec-butyl acetate 57.43
    tert-butyl acetate 102.39
    decalin 14.68
    glycerin 213.08
    diglyme 286.47
    acrylic acid 300.76
    isopropyl myristate 32.71
    n-butyric acid 273.45
    acetyl acetate 130.42
    di(2-ethylhexyl) phthalate 39.91
    ethyl propionate 89.65
    nitromethane 1005.57
    1,2-diethoxyethane 98.27
    benzonitrile 142.12
    trioctyl phosphate 24.76
    1-bromopropane 170.95
    gamma-valerolactone 489.97
    n-decanol 35.77
    triethyl phosphate 39.95
    4-methyl-2-pentanol 81.84
    propionitrile 278.27
    vinylene carbonate 194.15
    1,1,2-trichlorotrifluoroethane 346.23
    DMS 89.91
    cumene 42.32
    2-octanol 45.86
    2-hexanone 110.96
    octyl acetate 43.71
    limonene 32.73
    1,2-dimethoxyethane 449.26
    ethyl orthosilicate 38.59
    tributyl phosphate 30.91
    diacetone alcohol 166.57
    N,N-dimethylaniline 118.76
    acrylonitrile 405.66
    aniline 141.2
    1,3-propanediol 311.39
    bromobenzene 83.26
    dibromomethane 326.31
    1,1,2,2-tetrachloroethane 383.9
    2-methyl-cyclohexyl acetate 47.25
    tetrabutyl urea 46.91
    diisobutyl methanol 28.56
    2-phenylethanol 66.43
    styrene 58.77
    dioctyl adipate 49.0
    dimethyl sulfate 207.41
    ethyl butyrate 53.14
    methyl lactate 131.34
    butyl lactate 58.18
    diethyl carbonate 43.45
    propanediol butyl ether 106.83
    triethyl orthoformate 42.93
    p-tert-butyltoluene 24.22
    methyl 4-tert-butylbenzoate 96.28
    morpholine 402.53
    tert-butylamine 265.39
    n-dodecanol 25.06
    dimethoxymethane 319.27
    ethylene carbonate 151.71
    cyrene 116.57
    2-ethoxyethyl acetate 98.42
    2-ethylhexyl acetate 38.42
    1,2,4-trichlorobenzene 141.79
    4-methylpyridine 297.19
    dibutyl ether 56.1
    2,6-dimethyl-4-heptanol 28.56
    DEF 315.2
    dimethyl isosorbide 144.35
    tetrachloroethylene 301.27
    eugenol 97.41
    triacetin 106.64
    span 80 76.39
    1,4-butanediol 129.98
    1,1-dichloroethane 338.31
    2-methyl-1-pentanol 140.07
    methyl formate 469.72
    2-methyl-1-butanol 216.28
    n-decane 10.11
    butyronitrile 241.39
    3,7-dimethyl-1-octanol 53.1
    1-chlorooctane 32.34
    1-chlorotetradecane 12.79
    n-nonane 10.24
    undecane 6.98
    tert-butylcyclohexane 17.37
    cyclooctane 7.28
    cyclopentanol 199.38
    tetrahydropyran 190.94
    tert-amyl methyl ether 199.68
    2,5,8-trioxanonane 180.71
    1-hexene 83.36
    2-isopropoxyethanol 170.58
    2,2,2-trifluoroethanol 324.7
    methyl butyrate 140.11

    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

Botanical

Name CAS Botanical Proportion
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 1.17%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.01%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.33%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.05%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%