Methyl vinyl ketone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    78-94-4

    Molecular formula
    C4H6O

    SMILES
    CC(=O)C=C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 948.0

  • Odor profile

    Pungent 77.63%
    Ethereal 61.82%
    Sweet 59.34%
    Sharp 58.29%
    Spicy 45.68%
    Burnt 42.37%
    Nutty 38.78%
    Gassy 38.26%
    Caramellic 37.93%
    Alliaceous 36.31%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.2 [mmHg]
    • 0.5 mg/cu m

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    70.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 20 °F (EPA, 1998)
    • FP: 20 °F = -7 °C = 266 deg K
    • -7 °C
    • 20 °F

    Boiling point

    • 179 °F at 760 mmHg (EPA, 1998)
    • 81.4 °C
    • Forms binary azeotrope with water; BP: 75 °C at 760 mm Hg (12% water) ... polymerizes on standing.
    • 81 °C
    • 179 °F

    Flash point est.
    -11.05 ˚C

    Flash point expt.

    • 20 °F (EPA, 1998)
    • 20 °F (-7 °C) (Closed cup)
    • 30 °F (open cup)
    • -7 °C c.c.
    • 20 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
    • Easily sol in methanol, ethanol, ether, acetone, glacial acetic acid; slightly sol in hydrocarbons.
    • Slightly soluble in carbon tetrachloride; soluble in benzene
    • Solubility in water: good

  • Synonyms

    • METHYL VINYL KETONE
    • 3-Buten-2-one
    • 78-94-4
    • but-3-en-2-one
    • Butenone
    • Vinyl methyl ketone
    • Methylene acetone
    • 2-Butenone
    • Methylvinylketon
    • Acetyl ethylene
    • 1-Buten-3-one
    • Methylvinylketone
    • 3-Butene-2-one
    • Methyl ethenyl ketone
    • Methylvinyl ketone
    • 3-Butenone-2
    • Acetone, methylene-
    • Ketone, methyl vinyl
    • gamma-Oxo-alpha-butylene
    • Methyl-vinyl-cetone
    • 3-oxo-1-butene
    • but-1-en-3-one
    • delta(sup 3)-2-Butenone
    • UN1251
    • CCRIS 3423
    • HSDB 716
    • CHEBI:48058
    • methylvinylcetone
    • 3-Oxobutene
    • g-oxo-a-Butylene
    • NSC 4853
    • buten-2-one
    • EINECS 201-160-6
    • UNII-AR7642I1MP
    • 3-Butenen-2-one
    • DTXSID3025671
    • AI3-16048
    • Delta(3)-2-butenone
    • NSC-4853
    • CH2=CHCOCH3
    • MFCD00008777
    • 25038-87-3
    • .DELTA.3-2-BUTENONE
    • AR7642I1MP
    • DTXCID205671
    • Methyl vinyl ketone, stabilized
    • CHEMBL1600824
    • METHYL VINYL KETONE [MI]
    • EC 201-160-6
    • .DELTA.-OXO-.ALPHA.-BUTYLENE
    • UN 1251
    • UN-1251
    • 3-Buten-2-one (90%) (Stabilized with <1% Hydroquinone)
    • Methylvinylketon [German]
    • METHYL VINYL KETONE, (STABILIZED)
    • METHYL VINYL KETONE, [STABILIZED]
    • Methyl-vinyl-cetone [French]
    • 2Butenone
    • 3-butenone
    • 3Butene2one
    • methyl vinylketone
    • methyl-vinylketone
    • methylvinyl-ketone
    • 1Buten3one
    • 3Buten2one
    • 3Butenone2
    • but-3-enone
    • metyl vinyl ketone
    • 3-oxo-l-butene
    • Acetone, methylene
    • methly vinyl ketone
    • methyl-vinyl-ketone
    • gammaOxoalphabutylene
    • 1-butene-3-one
    • delta3-2-Butenone
    • 1-Propen-3-one
    • 3-oxo-but-1-ene
    • delta(sup 3)2Butenone
    • 3-2-BUTENONE
    • .gamma.-Oxo-.alpha.-butylene
    • Methyl vinyl ketone, stabilised
    • WLN: 1V1U1
    • DELTA-OXO-ALPHA-BUTYLENE
    • NSC4853
    • AAA07894
    • BCP24759
    • DELTA (SUP 3)-2-BUTENONE
    • Tox21_200363
    • BDBM50245462
    • LMFA12000018
    • STL299803
    • AKOS000120352
    • CAS-78-94-4
    • NCGC00091118-01
    • NCGC00091118-02
    • NCGC00257917-01
    • M0460
    • NS00004153
    • 3-Buten-2-one, purum, >=95.0% (GC)
    • EN300-19794
    • C20701
    • F71092
    • Q417525
    • But-3-en-2-one (Stabilized with <1% Hydroquinone)
    • Methyl vinyl ketone, stabilized [UN1251] [Poison]
    • 3-Buten-2-one, contains 0.3-1.0% hydroquinone as stabilizer, technical grade, 90%
    • 3-Buten-2-one, contains 0.5% hydroquinone and 0.1% acetic acid as stabilizer, 99%
    • 201-160-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.8
    methanol 1075.64
    isopropanol 502.6
    water 138.58
    ethyl acetate 241.27
    n-propanol 434.05
    acetone 399.85
    n-butanol 381.03
    acetonitrile 504.89
    DMF 637.17
    toluene 62.42
    isobutanol 334.27
    1,4-dioxane 306.27
    methyl acetate 349.08
    THF 304.23
    2-butanone 334.1
    n-pentanol 266.48
    sec-butanol 409.45
    n-hexane 39.55
    ethylene glycol 202.95
    NMP 447.66
    cyclohexane 18.21
    DMSO 305.8
    n-butyl acetate 69.84
    n-octanol 105.18
    chloroform 443.1
    n-propyl acetate 100.63
    acetic acid 503.59
    dichloromethane 384.69
    cyclohexanone 225.88
    propylene glycol 249.61
    isopropyl acetate 117.88
    DMAc 628.95
    2-ethoxyethanol 334.74
    isopentanol 276.4
    n-heptane 19.17
    ethyl formate 197.17
    1,2-dichloroethane 172.5
    n-hexanol 160.69
    2-methoxyethanol 582.11
    isobutyl acetate 58.61
    tetrachloromethane 105.04
    n-pentyl acetate 84.25
    transcutol 549.83
    n-heptanol 93.58
    ethylbenzene 46.18
    MIBK 104.56
    2-propoxyethanol 234.07
    tert-butanol 410.26
    MTBE 217.97
    2-butoxyethanol 160.71
    propionic acid 404.16
    o-xylene 62.99
    formic acid 356.44
    diethyl ether 216.78
    m-xylene 49.15
    p-xylene 64.53
    chlorobenzene 89.7
    dimethyl carbonate 83.07
    n-octane 9.71
    formamide 462.79
    cyclopentanone 275.4
    2-pentanone 209.67
    anisole 128.83
    cyclopentyl methyl ether 146.77
    gamma-butyrolactone 314.56
    1-methoxy-2-propanol 375.19
    pyridine 251.21
    3-pentanone 158.3
    furfural 297.31
    n-dodecane 7.8
    diethylene glycol 205.99
    diisopropyl ether 47.21
    tert-amyl alcohol 375.57
    acetylacetone 162.96
    n-hexadecane 8.12
    acetophenone 114.87
    methyl propionate 212.12
    isopentyl acetate 62.82
    trichloroethylene 316.29
    n-nonanol 87.27
    cyclohexanol 197.16
    benzyl alcohol 148.34
    2-ethylhexanol 83.75
    isooctanol 72.88
    dipropyl ether 67.48
    1,2-dichlorobenzene 79.86
    ethyl lactate 73.86
    propylene carbonate 145.08
    n-methylformamide 477.39
    2-pentanol 246.47
    n-pentane 36.81
    1-propoxy-2-propanol 141.48
    1-methoxy-2-propyl acetate 80.53
    2-(2-methoxypropoxy) propanol 135.21
    mesitylene 29.15
    ε-caprolactone 204.65
    p-cymene 26.99
    epichlorohydrin 291.13
    1,1,1-trichloroethane 206.5
    2-aminoethanol 373.53
    morpholine-4-carbaldehyde 423.63
    sulfolane 235.09
    2,2,4-trimethylpentane 22.9
    2-methyltetrahydrofuran 277.9
    n-hexyl acetate 120.87
    isooctane 10.54
    2-(2-butoxyethoxy)ethanol 185.74
    sec-butyl acetate 68.45
    tert-butyl acetate 97.35
    decalin 15.87
    glycerin 259.82
    diglyme 284.7
    acrylic acid 339.61
    isopropyl myristate 40.62
    n-butyric acid 323.15
    acetyl acetate 117.57
    di(2-ethylhexyl) phthalate 46.17
    ethyl propionate 99.91
    nitromethane 634.37
    1,2-diethoxyethane 138.45
    benzonitrile 142.48
    trioctyl phosphate 31.9
    1-bromopropane 139.25
    gamma-valerolactone 376.15
    n-decanol 58.7
    triethyl phosphate 37.39
    4-methyl-2-pentanol 114.8
    propionitrile 284.91
    vinylene carbonate 148.79
    1,1,2-trichlorotrifluoroethane 278.03
    DMS 85.5
    cumene 37.18
    2-octanol 69.97
    2-hexanone 125.47
    octyl acetate 57.09
    limonene 39.96
    1,2-dimethoxyethane 346.39
    ethyl orthosilicate 39.84
    tributyl phosphate 39.7
    diacetone alcohol 169.07
    N,N-dimethylaniline 101.44
    acrylonitrile 350.26
    aniline 165.25
    1,3-propanediol 390.22
    bromobenzene 68.13
    dibromomethane 239.61
    1,1,2,2-tetrachloroethane 242.93
    2-methyl-cyclohexyl acetate 55.14
    tetrabutyl urea 52.68
    diisobutyl methanol 41.17
    2-phenylethanol 99.81
    styrene 58.6
    dioctyl adipate 58.44
    dimethyl sulfate 118.4
    ethyl butyrate 66.31
    methyl lactate 137.68
    butyl lactate 78.17
    diethyl carbonate 44.28
    propanediol butyl ether 166.71
    triethyl orthoformate 50.26
    p-tert-butyltoluene 25.82
    methyl 4-tert-butylbenzoate 87.72
    morpholine 413.56
    tert-butylamine 247.94
    n-dodecanol 41.02
    dimethoxymethane 243.12
    ethylene carbonate 113.23
    cyrene 108.94
    2-ethoxyethyl acetate 117.41
    2-ethylhexyl acetate 48.69
    1,2,4-trichlorobenzene 106.01
    4-methylpyridine 267.15
    dibutyl ether 80.28
    2,6-dimethyl-4-heptanol 41.17
    DEF 275.44
    dimethyl isosorbide 135.5
    tetrachloroethylene 194.19
    eugenol 99.84
    triacetin 108.26
    span 80 117.0
    1,4-butanediol 175.75
    1,1-dichloroethane 266.0
    2-methyl-1-pentanol 220.9
    methyl formate 270.8
    2-methyl-1-butanol 301.65
    n-decane 13.84
    butyronitrile 257.21
    3,7-dimethyl-1-octanol 87.0
    1-chlorooctane 47.31
    1-chlorotetradecane 17.45
    n-nonane 14.31
    undecane 9.91
    tert-butylcyclohexane 19.99
    cyclooctane 7.57
    cyclopentanol 240.05
    tetrahydropyran 229.53
    tert-amyl methyl ether 173.05
    2,5,8-trioxanonane 189.76
    1-hexene 105.43
    2-isopropoxyethanol 206.04
    2,2,2-trifluoroethanol 219.53
    methyl butyrate 140.1

    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
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.04%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.08%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%