Vinyl butyrate

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  • Identifiers

    CAS number
    123-20-6

    Molecular formula
    C6H10O2

    SMILES
    CCCC(=O)OC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 94.29%
    Green 62.48%
    Ethereal 59.3%
    Apple 58.21%
    Pineapple 51.2%
    Rummy 45.38%
    Winey 43.69%
    Pungent 43.67%
    Sharp 43.66%
    Sweet 40.3%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point est.
    21.08 ˚C

    Flash point expt.

    • 68 °F (NFPA, 2010)

  • Synonyms

    • Vinyl butyrate
    • 123-20-6
    • Vinyl butanoate
    • Butanoic acid, ethenyl ester
    • ethenyl butanoate
    • Butyric acid, vinyl ester
    • Vinylester kyseliny maselne
    • Vinyl butyrate, inhibited
    • n-Butyric acid vinyl ester
    • vinyl n-butyrate
    • NSC 5280
    • Vinylester kyseliny maselne [Czech]
    • EINECS 204-609-4
    • Vinyl Butyrate (stabilized with MEHQ)
    • BRN 1744933
    • AI3-24888
    • DW94WV9JCH
    • Butanoic acid, etheyl ester
    • DTXSID0074556
    • 4-02-00-00792 (Beilstein Handbook Reference)
    • NSC-5280
    • UN 2838
    • Vinyl Butanoate; Vinyl Butyrate; Vinyl n-Butyrate
    • Butyric Acid Vinyl Ester
    • UN2838
    • MFCD00059410
    • VINYLBUTYRATE
    • UNII-DW94WV9JCH
    • butanoic acid ethenyl ester
    • SCHEMBL23026
    • WLN: 3VO1U1
    • BUTANOIC ACID VINYLESTER
    • DTXCID6033790
    • NSC5280
    • VINYL BUTYRATE, STABILIZED
    • Butanoic acid, ethenyl ester (9CI)
    • Vinyl butyrate, >=99.0% (GC)
    • AKOS006223438
    • FS-4033
    • FV179239
    • B0765
    • NS00024010
    • A805027
    • Q63409625
    • Vinyl butyrate, inhibited [UN2838] [Flammable liquid]
    • 204-609-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 505.88
    methanol 692.47
    isopropanol 386.27
    water 2.13
    ethyl acetate 448.86
    n-propanol 385.74
    acetone 688.16
    n-butanol 372.4
    acetonitrile 628.93
    DMF 1117.17
    toluene 175.18
    isobutanol 280.54
    1,4-dioxane 610.5
    methyl acetate 457.18
    THF 889.2
    2-butanone 474.1
    n-pentanol 319.22
    sec-butanol 349.42
    n-hexane 95.06
    ethylene glycol 119.8
    NMP 1157.43
    cyclohexane 130.65
    DMSO 1003.55
    n-butyl acetate 430.06
    n-octanol 270.21
    chloroform 1060.78
    n-propyl acetate 324.21
    acetic acid 885.35
    dichloromethane 1163.14
    cyclohexanone 754.05
    propylene glycol 168.54
    isopropyl acetate 256.91
    DMAc 790.57
    2-ethoxyethanol 330.93
    isopentanol 277.38
    n-heptane 62.79
    ethyl formate 378.7
    1,2-dichloroethane 596.45
    n-hexanol 345.38
    2-methoxyethanol 549.03
    isobutyl acetate 183.3
    tetrachloromethane 113.35
    n-pentyl acetate 273.4
    transcutol 1023.99
    n-heptanol 153.11
    ethylbenzene 156.93
    MIBK 230.8
    2-propoxyethanol 444.65
    tert-butanol 409.11
    MTBE 254.29
    2-butoxyethanol 224.75
    propionic acid 515.58
    o-xylene 145.48
    formic acid 220.28
    diethyl ether 322.06
    m-xylene 137.6
    p-xylene 220.75
    chlorobenzene 405.85
    dimethyl carbonate 188.98
    n-octane 33.37
    formamide 247.88
    cyclopentanone 850.78
    2-pentanone 408.49
    anisole 303.28
    cyclopentyl methyl ether 384.2
    gamma-butyrolactone 1053.49
    1-methoxy-2-propanol 451.88
    pyridine 648.21
    3-pentanone 312.59
    furfural 941.74
    n-dodecane 36.3
    diethylene glycol 309.74
    diisopropyl ether 105.94
    tert-amyl alcohol 343.28
    acetylacetone 449.31
    n-hexadecane 39.99
    acetophenone 335.67
    methyl propionate 381.59
    isopentyl acetate 321.0
    trichloroethylene 1214.72
    n-nonanol 218.29
    cyclohexanol 361.19
    benzyl alcohol 260.52
    2-ethylhexanol 220.79
    isooctanol 124.75
    dipropyl ether 232.64
    1,2-dichlorobenzene 391.13
    ethyl lactate 190.19
    propylene carbonate 607.16
    n-methylformamide 501.02
    2-pentanol 254.58
    n-pentane 74.45
    1-propoxy-2-propanol 354.28
    1-methoxy-2-propyl acetate 331.13
    2-(2-methoxypropoxy) propanol 341.14
    mesitylene 107.98
    ε-caprolactone 666.75
    p-cymene 117.81
    epichlorohydrin 840.77
    1,1,1-trichloroethane 507.05
    2-aminoethanol 213.53
    morpholine-4-carbaldehyde 768.97
    sulfolane 1245.49
    2,2,4-trimethylpentane 40.24
    2-methyltetrahydrofuran 595.83
    n-hexyl acetate 528.3
    isooctane 30.24
    2-(2-butoxyethoxy)ethanol 429.65
    sec-butyl acetate 194.1
    tert-butyl acetate 262.49
    decalin 70.83
    glycerin 220.54
    diglyme 635.48
    acrylic acid 508.61
    isopropyl myristate 190.9
    n-butyric acid 605.41
    acetyl acetate 307.84
    di(2-ethylhexyl) phthalate 183.45
    ethyl propionate 317.28
    nitromethane 1152.27
    1,2-diethoxyethane 359.58
    benzonitrile 474.16
    trioctyl phosphate 138.29
    1-bromopropane 386.98
    gamma-valerolactone 966.6
    n-decanol 164.59
    triethyl phosphate 159.57
    4-methyl-2-pentanol 136.26
    propionitrile 434.01
    vinylene carbonate 662.68
    1,1,2-trichlorotrifluoroethane 567.82
    DMS 339.28
    cumene 122.91
    2-octanol 149.55
    2-hexanone 354.28
    octyl acetate 254.31
    limonene 182.07
    1,2-dimethoxyethane 635.27
    ethyl orthosilicate 137.4
    tributyl phosphate 194.45
    diacetone alcohol 306.72
    N,N-dimethylaniline 230.81
    acrylonitrile 607.03
    aniline 241.33
    1,3-propanediol 300.19
    bromobenzene 434.65
    dibromomethane 760.22
    1,1,2,2-tetrachloroethane 837.35
    2-methyl-cyclohexyl acetate 265.85
    tetrabutyl urea 254.14
    diisobutyl methanol 115.48
    2-phenylethanol 254.92
    styrene 210.69
    dioctyl adipate 285.83
    dimethyl sulfate 323.32
    ethyl butyrate 321.7
    methyl lactate 226.39
    butyl lactate 240.53
    diethyl carbonate 253.57
    propanediol butyl ether 317.85
    triethyl orthoformate 199.36
    p-tert-butyltoluene 108.71
    methyl 4-tert-butylbenzoate 295.29
    morpholine 640.72
    tert-butylamine 259.2
    n-dodecanol 131.11
    dimethoxymethane 475.0
    ethylene carbonate 454.34
    cyrene 276.6
    2-ethoxyethyl acetate 314.78
    2-ethylhexyl acetate 248.0
    1,2,4-trichlorobenzene 427.54
    4-methylpyridine 623.69
    dibutyl ether 295.72
    2,6-dimethyl-4-heptanol 115.48
    DEF 526.73
    dimethyl isosorbide 509.61
    tetrachloroethylene 489.75
    eugenol 288.23
    triacetin 411.01
    span 80 339.47
    1,4-butanediol 155.67
    1,1-dichloroethane 607.12
    2-methyl-1-pentanol 269.87
    methyl formate 436.31
    2-methyl-1-butanol 272.27
    n-decane 54.11
    butyronitrile 479.79
    3,7-dimethyl-1-octanol 233.13
    1-chlorooctane 183.15
    1-chlorotetradecane 81.9
    n-nonane 55.8
    undecane 42.32
    tert-butylcyclohexane 65.9
    cyclooctane 37.77
    cyclopentanol 439.34
    tetrahydropyran 605.52
    tert-amyl methyl ether 222.04
    2,5,8-trioxanonane 525.2
    1-hexene 275.23
    2-isopropoxyethanol 230.68
    2,2,2-trifluoroethanol 206.87
    methyl butyrate 440.37

    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
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%